3-(4-chloro-3,5-difluorophenyl)propan-1-ol

C9H9ClF2O — CID 66733620

IUPAC3-(4-chloro-3,5-difluorophenyl)propan-1-ol
SMILESOCCCc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C9H9ClF2O/c10-9-7(11)4-6(2-1-3-13)5-8(9)12/h4-5,13H,1-3H2
InChIKeyPEESJXPJMPUOKM-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.54
Rot. Bonds3

About 3-(4-chloro-3,5-difluorophenyl)propan-1-ol

3-(4-chloro-3,5-difluorophenyl)propan-1-ol (PubChem CID 66733620) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 3-(4-chloro-3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3,5-difluorophenyl)propan-1-ol
PubChem CID66733620
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name3-(4-chloro-3,5-difluorophenyl)propan-1-ol
SMILESOCCCc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C9H9ClF2O/c10-9-7(11)4-6(2-1-3-13)5-8(9)12/h4-5,13H,1-3H2
InChIKeyPEESJXPJMPUOKM-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306
2-(2-chloro-3,5-difluorophenyl)ethanol
CID 117283325
3-(3-chloro-5-methoxyphenyl)propan-1-ol
CID 117289609
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-chloro-3,5-difluorophenyl)propan-1-ol (CID 66733620) is 3-(4-chloro-3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-chloro-3,5-difluorophenyl)propan-1-ol is OCCCc1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3,5-difluorophenyl)propan-1-ol?
The InChIKey is PEESJXPJMPUOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c10-9-7(11)4-6(2-1-3-13)5-8(9)12/h4-5,13H,1-3H2.
What are the key properties of 3-(4-chloro-3,5-difluorophenyl)propan-1-ol?
3-(4-chloro-3,5-difluorophenyl)propan-1-ol has a molecular weight of 206.62 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 66733620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).