1-(trifluoromethyl)cyclohexane-1-carboxylic acid

C8H11F3O2 — CID 15507524

IUPAC1-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
InChIKeyVFSFTDFBHSFDEE-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.58
Rot. Bonds1

About 1-(trifluoromethyl)cyclohexane-1-carboxylic acid

1-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 15507524) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID15507524
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name1-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
InChIKeyVFSFTDFBHSFDEE-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylcyclohexanecarboxylic acid
CID 70744
5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid
CID 2774849
1-Ethylcyclohexane-1-carboxylic acid
CID 549719
4,4-Difluorocyclohexanecarboxylic acid
CID 2779136
4-(Pentadecafluoroheptyl)cyclohexane-1-carboxylic acid
CID 18650021
4-(Heptafluoropropyl)cyclohexane-1-carboxylic acid
CID 57134313
4-(Tridecafluorohexyl)cyclohexane-1-carboxylic acid
CID 57180877
4-(Undecafluoropentyl)cyclohexane-1-carboxylic acid
CID 57209518
1-Fluorocyclohexane-1-carboxylic acid
CID 11094762
4-Fluorocyclohexane-1-carboxylic acid
CID 11999998
2-(1-Methylcyclohexyl)acetic acid
CID 13697885
1-n-Propylcyclohexanoic acid
CID 21888994

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 15507524) is 1-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is VFSFTDFBHSFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13).
What are the key properties of 1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 196.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 15507524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).