cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid

C12H13FO3 — CID 99996064

IUPACcis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@](O)(c2ccc(F)cc2)C1
InChIInChI=1S/C12H13FO3/c13-10-3-1-9(2-4-10)12(16)6-5-8(7-12)11(14)15/h1-4,8,16H,5-7H2,(H,14,15)/t8-,12-/m1/s1
InChIKeyQRXFCLCKMLNFIP-PRHODGIISA-N
MW224.23 g/mol
LogP1.90
Rot. Bonds2

About cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid

cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid (PubChem CID 99996064) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
PubChem CID99996064
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Namecis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@](O)(c2ccc(F)cc2)C1
InChIInChI=1S/C12H13FO3/c13-10-3-1-9(2-4-10)12(16)6-5-8(7-12)11(14)15/h1-4,8,16H,5-7H2,(H,14,15)/t8-,12-/m1/s1
InChIKeyQRXFCLCKMLNFIP-PRHODGIISA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 99996074
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
(4aS,8aR)-6-(4-fluorophenyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-isoquinolin-6-ol
CID 15331545
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
2-benzoyl-6-(4-fluorophenyl)-6-hydroxy-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-one
CID 19438921
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
3-(4-fluorophenyl)-6-methylthian-3-ol
CID 131251161
(3S,6R)-3-(4-fluorophenyl)-6-methylthian-3-ol
CID 125427250

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid (CID 99996064) is cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@](O)(c2ccc(F)cc2)C1.
What is the InChIKey of cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is QRXFCLCKMLNFIP-PRHODGIISA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-3-1-9(2-4-10)12(16)6-5-8(7-12)11(14)15/h1-4,8,16H,5-7H2,(H,14,15)/t8-,12-/m1/s1.
What are the key properties of cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid?
cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 99996064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).