3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid

C7H9F3O3 — CID 83915930

IUPAC3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H9F3O3/c8-7(9,10)6(13)2-1-4(3-6)5(11)12/h4,13H,1-3H2,(H,11,12)
InChIKeyRTJPRQMWQIVLQV-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.16
Rot. Bonds1

About 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid

3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid (PubChem CID 83915930) has the molecular formula C7H9F3O3 and a molecular weight of 198.14 g/mol. Its IUPAC name is 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
PubChem CID83915930
Molecular FormulaC7H9F3O3
Molecular Weight198.14 g/mol
Exact Mass198.05
IUPAC Name3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H9F3O3/c8-7(9,10)6(13)2-1-4(3-6)5(11)12/h4,13H,1-3H2,(H,11,12)
InChIKeyRTJPRQMWQIVLQV-UHFFFAOYSA-N
XLogP1.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
CID 175913694
3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid
CID 105484350
3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
CID 84736355
4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 86775367
cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 99996074
[2-amino-5-hydroxy-5-(trifluoromethyl)cyclohexyl] benzoate
CID 163295017
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
spiro[4.5]decane-3-carboxylic acid
CID 13443385
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 134175699
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid (CID 83915930) is 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid?
The InChIKey is RTJPRQMWQIVLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O3/c8-7(9,10)6(13)2-1-4(3-6)5(11)12/h4,13H,1-3H2,(H,11,12).
What are the key properties of 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid?
3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid has a molecular weight of 198.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83915930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).