(1R)-2-chloro-2-fluoro-1-phenylethanol

C8H8ClFO — CID 102153591

IUPAC(1R)-2-chloro-2-fluoro-1-phenylethanol
SMILESO[C@H](c1ccccc1)C(F)Cl
InChIInChI=1S/C8H8ClFO/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H/t7-,8?/m1/s1
InChIKeyWTPYKCUXFNOPPC-GVHYBUMESA-N
MW174.60 g/mol
LogP2.25
Rot. Bonds2

About (1R)-2-chloro-2-fluoro-1-phenylethanol

(1R)-2-chloro-2-fluoro-1-phenylethanol (PubChem CID 102153591) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is (1R)-2-chloro-2-fluoro-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-chloro-2-fluoro-1-phenylethanol
PubChem CID102153591
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name(1R)-2-chloro-2-fluoro-1-phenylethanol
SMILESO[C@H](c1ccccc1)C(F)Cl
InChIInChI=1S/C8H8ClFO/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H/t7-,8?/m1/s1
InChIKeyWTPYKCUXFNOPPC-GVHYBUMESA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
1,2-diphenylethane-1,2-diol
CID 159073808
(1S)-1,2,2-triphenylethanol
CID 38988933
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-2-fluoro-1-phenylethanol?
The IUPAC name of (1R)-2-chloro-2-fluoro-1-phenylethanol (CID 102153591) is (1R)-2-chloro-2-fluoro-1-phenylethanol.
What is the SMILES notation for (1R)-2-chloro-2-fluoro-1-phenylethanol?
The canonical SMILES for (1R)-2-chloro-2-fluoro-1-phenylethanol is O[C@H](c1ccccc1)C(F)Cl.
What is the InChIKey of (1R)-2-chloro-2-fluoro-1-phenylethanol?
The InChIKey is WTPYKCUXFNOPPC-GVHYBUMESA-N. The full InChI is InChI=1S/C8H8ClFO/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H/t7-,8?/m1/s1.
What are the key properties of (1R)-2-chloro-2-fluoro-1-phenylethanol?
(1R)-2-chloro-2-fluoro-1-phenylethanol has a molecular weight of 174.60 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-2-fluoro-1-phenylethanol is sourced from PubChem (CID 102153591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).