(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol

C9H10F2O — CID 122372146

IUPAC(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](F)c1cccc(F)c1
InChIInChI=1S/C9H10F2O/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-6,9,12H,1H3/t6-,9+/m1/s1
InChIKeyOQZSPBVYMMMLPX-MUWHJKNJSA-N
MW172.17 g/mol
LogP2.22
Rot. Bonds2

About (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol

(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol (PubChem CID 122372146) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
PubChem CID122372146
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](F)c1cccc(F)c1
InChIInChI=1S/C9H10F2O/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-6,9,12H,1H3/t6-,9+/m1/s1
InChIKeyOQZSPBVYMMMLPX-MUWHJKNJSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
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CID 82282052
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
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(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
1-(3-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448822
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
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1-(3-fluorophenyl)-2-methoxypropan-1-amine
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CID 18364031

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol (CID 122372146) is (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol is C[C@@H](O)[C@H](F)c1cccc(F)c1.
What is the InChIKey of (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol?
The InChIKey is OQZSPBVYMMMLPX-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H10F2O/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-6,9,12H,1H3/t6-,9+/m1/s1.
What are the key properties of (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol?
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol has a molecular weight of 172.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 122372146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).