6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid

C14H21F6NO2 — CID 59927998

IUPAC6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
SMILESO=C(O)CCCCC(C1CCCCC1)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H21F6NO2/c15-13(16,17)21(14(18,19)20)11(8-4-5-9-12(22)23)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,22,23)
InChIKeyLDDVPGGMNZPWSO-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.92
Rot. Bonds7

About 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid

6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid (PubChem CID 59927998) has the molecular formula C14H21F6NO2 and a molecular weight of 349.32 g/mol. Its IUPAC name is 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid.

Molecular Properties

Compound Name6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
PubChem CID59927998
Molecular FormulaC14H21F6NO2
Molecular Weight349.32 g/mol
Exact Mass349.15
IUPAC Name6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
SMILESO=C(O)CCCCC(C1CCCCC1)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H21F6NO2/c15-13(16,17)21(14(18,19)20)11(8-4-5-9-12(22)23)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,22,23)
InChIKeyLDDVPGGMNZPWSO-UHFFFAOYSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-Fluoroethyl)piperidin-4-yl]pentanoic acid
CID 91537841
8-(Dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
CID 59927994
6-Cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 59927995
7-(Dimethylamino)-9,9,9-trifluoro-8,8-bis(trifluoromethyl)nonanoic acid
CID 59928030
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 121438663
6-[Bis(2,2,2-trifluoroacetyl)amino]-6-cyclohexylhexanoic acid
CID 140413723
7-[Bis(trifluoromethyl)amino]-2,2,4,4-tetramethylheptanoic acid
CID 149564658
3-(4,4-Difluorocyclohexyl)propanoic acid;3-(5,5-difluoro-1-methylpiperidin-2-yl)propanoic acid
CID 159942323
2-(4,4-Difluoroazepan-1-yl)-5,5-difluorocyclohexane-1-carboxylic acid
CID 178021098
2-[Methyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 55145942
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146895
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146901

Frequently Asked Questions

What is the IUPAC name of 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid?
The IUPAC name of 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid (CID 59927998) is 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid.
What is the SMILES notation for 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid?
The canonical SMILES for 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid is O=C(O)CCCCC(C1CCCCC1)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid?
The InChIKey is LDDVPGGMNZPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6NO2/c15-13(16,17)21(14(18,19)20)11(8-4-5-9-12(22)23)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,22,23).
What are the key properties of 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid?
6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid has a molecular weight of 349.32 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid is sourced from PubChem (CID 59927998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).