(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid

C14H17FO3 — CID 129389781

IUPAC(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
SMILESO=C(O)[C@@H](c1ccc(F)cc1)C1(O)CCCCC1
InChIInChI=1S/C14H17FO3/c15-11-6-4-10(5-7-11)12(13(16)17)14(18)8-2-1-3-9-14/h4-7,12,18H,1-3,8-9H2,(H,16,17)/t12-/m1/s1
InChIKeyANBHLAKHKGRRBF-GFCCVEGCSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid

(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid (PubChem CID 129389781) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
PubChem CID129389781
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
SMILESO=C(O)[C@@H](c1ccc(F)cc1)C1(O)CCCCC1
InChIInChI=1S/C14H17FO3/c15-11-6-4-10(5-7-11)12(13(16)17)14(18)8-2-1-3-9-14/h4-7,12,18H,1-3,8-9H2,(H,16,17)/t12-/m1/s1
InChIKeyANBHLAKHKGRRBF-GFCCVEGCSA-N
XLogP2.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid (CID 129389781) is (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid is O=C(O)[C@@H](c1ccc(F)cc1)C1(O)CCCCC1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
The InChIKey is ANBHLAKHKGRRBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17FO3/c15-11-6-4-10(5-7-11)12(13(16)17)14(18)8-2-1-3-9-14/h4-7,12,18H,1-3,8-9H2,(H,16,17)/t12-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid has a molecular weight of 252.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid is sourced from PubChem (CID 129389781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).