1-(2-chloro-5-fluorophenyl)propan-1-ol

C9H10ClFO — CID 105393866

IUPAC1-(2-chloro-5-fluorophenyl)propan-1-ol
SMILESCCC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H10ClFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9,12H,2H2,1H3
InChIKeyFHCXGPYOUCSMGC-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.92
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)propan-1-ol

1-(2-chloro-5-fluorophenyl)propan-1-ol (PubChem CID 105393866) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)propan-1-ol
PubChem CID105393866
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-(2-chloro-5-fluorophenyl)propan-1-ol
SMILESCCC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H10ClFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9,12H,2H2,1H3
InChIKeyFHCXGPYOUCSMGC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
1-(2-chloro-5-methylphenyl)propan-1-ol
CID 83988244
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)propan-1-ol (CID 105393866) is 1-(2-chloro-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)propan-1-ol is CCC(O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)propan-1-ol?
The InChIKey is FHCXGPYOUCSMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9,12H,2H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)propan-1-ol?
1-(2-chloro-5-fluorophenyl)propan-1-ol has a molecular weight of 188.63 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 105393866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).