2-(2-chloro-3-fluorophenyl)propan-2-ol

C9H10ClFO — CID 84661762

IUPAC2-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(F)c1Cl
InChIInChI=1S/C9H10ClFO/c1-9(2,12)6-4-3-5-7(11)8(6)10/h3-5,12H,1-2H3
InChIKeyGMMCLHSMQOUUKS-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.71
Rot. Bonds1

About 2-(2-chloro-3-fluorophenyl)propan-2-ol

2-(2-chloro-3-fluorophenyl)propan-2-ol (PubChem CID 84661762) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)propan-2-ol
PubChem CID84661762
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name2-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(F)c1Cl
InChIInChI=1S/C9H10ClFO/c1-9(2,12)6-4-3-5-7(11)8(6)10/h3-5,12H,1-2H3
InChIKeyGMMCLHSMQOUUKS-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 96881
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CID 143761
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CID 261544
2-Chlorobenzhydrol, (+-)-
CID 235819

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)propan-2-ol (CID 84661762) is 2-(2-chloro-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)propan-2-ol is CC(C)(O)c1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)propan-2-ol?
The InChIKey is GMMCLHSMQOUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-9(2,12)6-4-3-5-7(11)8(6)10/h3-5,12H,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)propan-2-ol?
2-(2-chloro-3-fluorophenyl)propan-2-ol has a molecular weight of 188.63 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 84661762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).