(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one

C12H13FO2 — CID 71485200

IUPAC(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one
SMILESO=C1CCC[C@H]1[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)14/h4-7,10,12,15H,1-3H2/t10-,12+/m1/s1
InChIKeyRRMNLTZFRCOUDP-PWSUYJOCSA-N
MW208.23 g/mol
LogP2.23
Rot. Bonds2

About (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one

(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one (PubChem CID 71485200) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one
PubChem CID71485200
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one
SMILESO=C1CCC[C@H]1[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)14/h4-7,10,12,15H,1-3H2/t10-,12+/m1/s1
InChIKeyRRMNLTZFRCOUDP-PWSUYJOCSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-phenylhydracrylate, (+-)-
CID 99818
2-(Hydroxy-phenylmethyl)cyclopent-2-en-1-one
CID 11030566
(1S)-1-hydroxy-1-phenylpropan-2-one
CID 9815225
1-Hydroxy-1-phenyl-2-propanone
CID 92733
3-Hydroxy-3-phenylpropanoic acid
CID 92959
Methyl 3-hydroxy-3-phenylpropanoate
CID 347841
(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid
CID 10976082
Stk329392
CID 11041240
3-[alpha-Hydroxy-4-(trifluoromethyl)benzyl]-3-butene-2-one
CID 9859651
Phenylacetylcarbinol, (-)-
CID 9920426
Ethyl 3-phenylhydracrylate, (S)-
CID 853697
Ethyl 3-phenylhydracrylate, (R)-
CID 853698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one (CID 71485200) is (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one is O=C1CCC[C@H]1[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one?
The InChIKey is RRMNLTZFRCOUDP-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)14/h4-7,10,12,15H,1-3H2/t10-,12+/m1/s1.
What are the key properties of (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one?
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one has a molecular weight of 208.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]cyclopentan-1-one is sourced from PubChem (CID 71485200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).