1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol

C10H8ClF5O — CID 115808880

IUPAC1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H8ClF5O/c11-6-4-7(12)5(3-8(6)13)9(17)1-2-10(14,15)16/h3-4,9,17H,1-2H2
InChIKeyCBIBRXKXZKCAAM-UHFFFAOYSA-N
MW274.62 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol

1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 115808880) has the molecular formula C10H8ClF5O and a molecular weight of 274.62 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID115808880
Molecular FormulaC10H8ClF5O
Molecular Weight274.62 g/mol
Exact Mass274.02
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H8ClF5O/c11-6-4-7(12)5(3-8(6)13)9(17)1-2-10(14,15)16/h3-4,9,17H,1-2H2
InChIKeyCBIBRXKXZKCAAM-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023875
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
CID 115819128
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-ol
CID 107477160
1-(4-chloro-2,5-difluorophenyl)pent-3-yn-1-ol
CID 115780031
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 83001570
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 107477207

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol (CID 115808880) is 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is CBIBRXKXZKCAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF5O/c11-6-4-7(12)5(3-8(6)13)9(17)1-2-10(14,15)16/h3-4,9,17H,1-2H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 274.62 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 115808880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).