2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene

C22H25F5O — CID 68607969

IUPAC2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene
SMILESCCCc1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(F)F)CC3)ccc2c1
InChIInChI=1S/C22H25F5O/c1-3-4-14-5-11-18-15(13-14)6-12-19(20(18)22(25,26)27)28-17-9-7-16(8-10-17)21(2,23)24/h5-6,11-13,16-17H,3-4,7-10H2,1-2H3
InChIKeyVJKNJMIAIGDREG-UHFFFAOYSA-N
MW400.43 g/mol
LogP7.40
Rot. Bonds5

About 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene

2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene (PubChem CID 68607969) has the molecular formula C22H25F5O and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene
PubChem CID68607969
Molecular FormulaC22H25F5O
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC Name2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene
SMILESCCCc1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(F)F)CC3)ccc2c1
InChIInChI=1S/C22H25F5O/c1-3-4-14-5-11-18-15(13-14)6-12-19(20(18)22(25,26)27)28-17-9-7-16(8-10-17)21(2,23)24/h5-6,11-13,16-17H,3-4,7-10H2,1-2H3
InChIKeyVJKNJMIAIGDREG-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-bromoethyl)-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
CID 90027600
[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol
CID 90028445
4-[[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]methylamino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 90026343
1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
CID 90032710
(3S)-2,2-dimethyl-3-[2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethylamino]cyclobutane-1-carboxylic acid
CID 90025468
methyl 9-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 118235914
4-[1-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methylamino]ethyl]cyclohexane-1-carboxylic acid
CID 118340417
9-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 73052950
(1S,5R)-9-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 72725208
4-[2-[3-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propyl]tetrazol-5-yl]piperidine
CID 90025297
2-[4-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]cyclohexyl]acetic acid
CID 152906420
2-[(3R)-1-[[6-(4-ethylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]methyl]piperidin-3-yl]acetic acid
CID 73051352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene?
The IUPAC name of 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene (CID 68607969) is 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene is CCCc1ccc2c(C(F)(F)F)c(OC3CCC(C(C)(F)F)CC3)ccc2c1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene?
The InChIKey is VJKNJMIAIGDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F5O/c1-3-4-14-5-11-18-15(13-14)6-12-19(20(18)22(25,26)27)28-17-9-7-16(8-10-17)21(2,23)24/h5-6,11-13,16-17H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene?
2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene has a molecular weight of 400.43 g/mol, XLogP of 7.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene is sourced from PubChem (CID 68607969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).