3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol

C10H11ClF2O — CID 117315030

IUPAC3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H11ClF2O/c11-9-6-8(10(12)13)4-3-7(9)2-1-5-14/h3-4,6,10,14H,1-2,5H2
InChIKeySTRFPIFRILFEMA-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.20
Rot. Bonds4

About 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol

3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol (PubChem CID 117315030) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
PubChem CID117315030
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H11ClF2O/c11-9-6-8(10(12)13)4-3-7(9)2-1-5-14/h3-4,6,10,14H,1-2,5H2
InChIKeySTRFPIFRILFEMA-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
CID 117291231
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375
2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde
CID 105468156
1-[4-(bromomethyl)-3-chlorophenyl]ethanol
CID 54433741
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
CID 175118299
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine
CID 117317246
4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
CID 82366996

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol (CID 117315030) is 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol is OCCCc1ccc(C(F)F)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol?
The InChIKey is STRFPIFRILFEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c11-9-6-8(10(12)13)4-3-7(9)2-1-5-14/h3-4,6,10,14H,1-2,5H2.
What are the key properties of 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol?
3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol has a molecular weight of 220.65 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117315030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).