3-cyclohexyl-4,4,4-trifluorobutanoic acid

C10H15F3O2 — CID 63155372

IUPAC3-cyclohexyl-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c11-10(12,13)8(6-9(14)15)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,14,15)
InChIKeyMCFBDDSIIOVRCP-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.22
Rot. Bonds3

About 3-cyclohexyl-4,4,4-trifluorobutanoic acid

3-cyclohexyl-4,4,4-trifluorobutanoic acid (PubChem CID 63155372) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-cyclohexyl-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-4,4,4-trifluorobutanoic acid
PubChem CID63155372
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name3-cyclohexyl-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c11-10(12,13)8(6-9(14)15)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,14,15)
InChIKeyMCFBDDSIIOVRCP-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylcyclohexyl)-4,4,4-trifluorobutanoic acid
CID 104575942
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
3-cyclohexylsulfanyl-4,4,4-trifluorobutanoic acid
CID 63098437
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162
3-chloro-3-cyclopentylpropanoic acid
CID 67392079
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
3-amino-4-cyclopentyl-5-methylhexanoic acid
CID 83909854
4-amino-3-cyclopentylbutanoic acid
CID 10130168
3-cyclopentyl-5-[4-(trifluoromethyl)cyclohexyl]pentanoic acid
CID 91472988
phenyl (3S)-3-cyclopropyl-4,4,4-trifluorobutanoate
CID 158904220
5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid
CID 67915104

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-cyclohexyl-4,4,4-trifluorobutanoic acid (CID 63155372) is 3-cyclohexyl-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-cyclohexyl-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-cyclohexyl-4,4,4-trifluorobutanoic acid is O=C(O)CC(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclohexyl-4,4,4-trifluorobutanoic acid?
The InChIKey is MCFBDDSIIOVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-10(12,13)8(6-9(14)15)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,14,15).
What are the key properties of 3-cyclohexyl-4,4,4-trifluorobutanoic acid?
3-cyclohexyl-4,4,4-trifluorobutanoic acid has a molecular weight of 224.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63155372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).