3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol

C9H8ClF3O — CID 117322509

IUPAC3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
SMILESOCCCc1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C9H8ClF3O/c10-8-7(12)4-6(11)5(9(8)13)2-1-3-14/h4,14H,1-3H2
InChIKeyLXPQWLUQXTWQED-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.68
Rot. Bonds3

About 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol

3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol (PubChem CID 117322509) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
PubChem CID117322509
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
SMILESOCCCc1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C9H8ClF3O/c10-8-7(12)4-6(11)5(9(8)13)2-1-3-14/h4,14H,1-3H2
InChIKeyLXPQWLUQXTWQED-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
3-bromo-5-fluoro-4-(3-hydroxypropyl)benzene-1,2-diol
CID 117416400
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363
2-chloro-1,3,5-trifluoro-4-methylbenzene
CID 54150914
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 164650630

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol (CID 117322509) is 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol is OCCCc1c(F)cc(F)c(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol?
The InChIKey is LXPQWLUQXTWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-8-7(12)4-6(11)5(9(8)13)2-1-3-14/h4,14H,1-3H2.
What are the key properties of 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol?
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol has a molecular weight of 224.61 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 117322509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).