(1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol

C9H10ClFO — CID 122372147

IUPAC(1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol
SMILESC[C@@H](O)[C@H](F)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClFO/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-6,9,12H,1H3/t6-,9+/m1/s1
InChIKeyWJEZCGISUMKVQM-MUWHJKNJSA-N
MW188.63 g/mol
LogP2.73
Rot. Bonds2

About (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol

(1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol (PubChem CID 122372147) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol
PubChem CID122372147
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name(1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol
SMILESC[C@@H](O)[C@H](F)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClFO/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-6,9,12H,1H3/t6-,9+/m1/s1
InChIKeyWJEZCGISUMKVQM-MUWHJKNJSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70117
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p-Chlorophenethylic alcohol
CID 74647
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha,alpha-dimethylbenzeneethanol
CID 79609
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
1-Chloro-3-phenyl-2-propanol
CID 220867
3-(2-Chlorophenyl)-propan-1-ol
CID 221970
4-Chlorobenzenepropanol
CID 221971
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol?
The IUPAC name of (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol (CID 122372147) is (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol.
What is the SMILES notation for (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol?
The canonical SMILES for (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol is C[C@@H](O)[C@H](F)c1cccc(Cl)c1.
What is the InChIKey of (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol?
The InChIKey is WJEZCGISUMKVQM-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H10ClFO/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-(3-chlorophenyl)-1-fluoropropan-2-ol?
(1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol has a molecular weight of 188.63 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3-chlorophenyl)-1-fluoropropan-2-ol is sourced from PubChem (CID 122372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).