6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid

C25H29F6NO3 — CID 73294377

IUPAC6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid
SMILESO=C(O)CCCCCNCc1cccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc12
InChIInChI=1S/C25H29F6NO3/c26-24(27,28)17-8-10-18(11-9-17)35-21-13-12-19-16(15-32-14-3-1-2-7-22(33)34)5-4-6-20(19)23(21)25(29,30)31/h4-6,12-13,17-18,32H,1-3,7-11,14-15H2,(H,33,34)
InChIKeyYYKPFADAYWWZKB-UHFFFAOYSA-N
MW505.50 g/mol
LogP7.09
Rot. Bonds10

About 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid

6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid (PubChem CID 73294377) has the molecular formula C25H29F6NO3 and a molecular weight of 505.50 g/mol. Its IUPAC name is 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid.

Molecular Properties

Compound Name6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid
PubChem CID73294377
Molecular FormulaC25H29F6NO3
Molecular Weight505.50 g/mol
Exact Mass505.21
IUPAC Name6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid
SMILESO=C(O)CCCCCNCc1cccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc12
InChIInChI=1S/C25H29F6NO3/c26-24(27,28)17-8-10-18(11-9-17)35-21-13-12-19-16(15-32-14-3-1-2-7-22(33)34)5-4-6-20(19)23(21)25(29,30)31/h4-6,12-13,17-18,32H,1-3,7-11,14-15H2,(H,33,34)
InChIKeyYYKPFADAYWWZKB-UHFFFAOYSA-N
XLogP7.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid with MolForge

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Related Compounds

3-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]propanoic acid
CID 73294374
8-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]octanoic acid
CID 160739876
6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid
CID 161019767
3-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]propanal
CID 144570535
5-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]pentanoic acid
CID 157314040
ethane;methoxymethane;3-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methylamino]propanal
CID 144570538
methyl 5-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]pentanoate
CID 159414931
2-ethyl-6-methyl-1-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
CID 73292236
N-prop-1-en-2-yl-N-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methyl]butan-1-amine
CID 90065336
methyl 9-[[5-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 90065281
1-methyl-N-[[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 135244397
(3S)-2,2-dimethyl-3-[2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethylamino]cyclobutane-1-carboxylic acid
CID 90025468

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid?
The IUPAC name of 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid (CID 73294377) is 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid.
What is the SMILES notation for 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid?
The canonical SMILES for 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid is O=C(O)CCCCCNCc1cccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc12.
What is the InChIKey of 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid?
The InChIKey is YYKPFADAYWWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F6NO3/c26-24(27,28)17-8-10-18(11-9-17)35-21-13-12-19-16(15-32-14-3-1-2-7-22(33)34)5-4-6-20(19)23(21)25(29,30)31/h4-6,12-13,17-18,32H,1-3,7-11,14-15H2,(H,33,34).
What are the key properties of 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid?
6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid has a molecular weight of 505.50 g/mol, XLogP of 7.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]methylamino]hexanoic acid is sourced from PubChem (CID 73294377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).