3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid

C17H27F3O2 — CID 91472988

IUPAC3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
SMILESO=C(O)CC(CCC1CCC(C(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C17H27F3O2/c18-17(19,20)15-9-6-12(7-10-15)5-8-14(11-16(21)22)13-3-1-2-4-13/h12-15H,1-11H2,(H,21,22)
InChIKeyZQFOJNFWCNRXRS-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.42
Rot. Bonds6

About 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid

3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid (PubChem CID 91472988) has the molecular formula C17H27F3O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
PubChem CID91472988
Molecular FormulaC17H27F3O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
SMILESO=C(O)CC(CCC1CCC(C(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C17H27F3O2/c18-17(19,20)15-9-6-12(7-10-15)5-8-14(11-16(21)22)13-3-1-2-4-13/h12-15H,1-11H2,(H,21,22)
InChIKeyZQFOJNFWCNRXRS-UHFFFAOYSA-N
XLogP5.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10130168
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
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CID 63155372
3-(2-cyclohexylethyl)-5-hydroxypentanoic acid
CID 19807422
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
8-cyclohexyl-3-hydroxyoctanoic acid
CID 123754175
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
CID 104576095

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
The IUPAC name of 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid (CID 91472988) is 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid.
What is the SMILES notation for 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
The canonical SMILES for 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid is O=C(O)CC(CCC1CCC(C(F)(F)F)CC1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
The InChIKey is ZQFOJNFWCNRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3O2/c18-17(19,20)15-9-6-12(7-10-15)5-8-14(11-16(21)22)13-3-1-2-4-13/h12-15H,1-11H2,(H,21,22).
What are the key properties of 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid?
3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid has a molecular weight of 320.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid is sourced from PubChem (CID 91472988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).