2-(3-chloro-5-fluorophenyl)propan-2-ol

C9H10ClFO — CID 84661761

IUPAC2-(3-chloro-5-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H10ClFO/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3
InChIKeyULGQUXUCPJDDLU-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.71
Rot. Bonds1

About 2-(3-chloro-5-fluorophenyl)propan-2-ol

2-(3-chloro-5-fluorophenyl)propan-2-ol (PubChem CID 84661761) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)propan-2-ol
PubChem CID84661761
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name2-(3-chloro-5-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H10ClFO/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3
InChIKeyULGQUXUCPJDDLU-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

2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 117291187
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
1-bromo-4,4,4-trichloro-2-(3-chloro-5-fluorophenyl)butan-2-ol
CID 21406975
[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55266103
(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol
CID 177496147
1-amino-1-(3,5-dichlorophenyl)ethanol
CID 23370682
1-chloro-3,5-difluorobenzene
CID 159732874
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
2-(4-fluorophenyl)propan-2-ol
CID 637733
2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
CID 117308733
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)propan-2-ol (CID 84661761) is 2-(3-chloro-5-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)propan-2-ol is CC(C)(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)propan-2-ol?
The InChIKey is ULGQUXUCPJDDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)propan-2-ol?
2-(3-chloro-5-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-(3-chloro-5-fluorophenyl)propan-2-ol is sourced from PubChem (CID 84661761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).