(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol

C9H11FO2 — CID 66633990

IUPAC(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
SMILESC[C@H](O)[C@@H](O)c1ccccc1F
InChIInChI=1S/C9H11FO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,9,11-12H,1H3/t6-,9+/m0/s1
InChIKeyZBCGRRLGXMTHGN-IMTBSYHQSA-N
MW170.18 g/mol
LogP1.24
Rot. Bonds2

About (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol

(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol (PubChem CID 66633990) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
PubChem CID66633990
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
SMILESC[C@H](O)[C@@H](O)c1ccccc1F
InChIInChI=1S/C9H11FO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,9,11-12H,1H3/t6-,9+/m0/s1
InChIKeyZBCGRRLGXMTHGN-IMTBSYHQSA-N
XLogP1.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457269
bis(2-fluorophenyl)methanol
CID 18424663
4-(2-fluorophenyl)-4-hydroxy-3-methylbutanenitrile
CID 82111982
(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol
CID 134968528
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol?
The IUPAC name of (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol (CID 66633990) is (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol.
What is the SMILES notation for (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol?
The canonical SMILES for (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol is C[C@H](O)[C@@H](O)c1ccccc1F.
What is the InChIKey of (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol?
The InChIKey is ZBCGRRLGXMTHGN-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H11FO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,9,11-12H,1H3/t6-,9+/m0/s1.
What are the key properties of (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol?
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol has a molecular weight of 170.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-fluorophenyl)propane-1,2-diol is sourced from PubChem (CID 66633990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).