(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol

C9H10F2O — CID 101494276

IUPAC(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol
SMILESOC[C@@H](F)Cc1ccc(F)cc1
InChIInChI=1S/C9H10F2O/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6H2/t9-/m0/s1
InChIKeyCUUQFHDWBWXXCZ-VIFPVBQESA-N
MW172.17 g/mol
LogP1.70
Rot. Bonds3

About (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol

(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol (PubChem CID 101494276) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol
PubChem CID101494276
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol
SMILESOC[C@@H](F)Cc1ccc(F)cc1
InChIInChI=1S/C9H10F2O/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6H2/t9-/m0/s1
InChIKeyCUUQFHDWBWXXCZ-VIFPVBQESA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67526233
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(2S)-2-[(4-fluorophenyl)methyl]hexane-1,6-diol
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2-[(4-fluorophenyl)methyl]propanedioic acid
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3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-fluorophenyl)-1-pyrimidin-2-ylethanol
CID 60798851
2-fluoro-3-(4-fluorophenyl)propanenitrile
CID 115013228
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
[1-amino-2-(4-fluorophenyl)ethyl]boronic acid
CID 129319389
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol (CID 101494276) is (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol is OC[C@@H](F)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is CUUQFHDWBWXXCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10F2O/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6H2/t9-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol?
(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 172.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 101494276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).