1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol

C9H5ClF6O — CID 107477207

IUPAC1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1cc(F)c(F)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H5ClF6O/c10-4-2-6(12)5(11)1-3(4)7(17)9(15,16)8(13)14/h1-2,7-8,17H
InChIKeyMXKDFUIPPYFRKK-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol

1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol (PubChem CID 107477207) has the molecular formula C9H5ClF6O and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
PubChem CID107477207
Molecular FormulaC9H5ClF6O
Molecular Weight278.58 g/mol
Exact Mass277.99
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1cc(F)c(F)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H5ClF6O/c10-4-2-6(12)5(11)1-3(4)7(17)9(15,16)8(13)14/h1-2,7-8,17H
InChIKeyMXKDFUIPPYFRKK-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 107477055
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-ol
CID 107477160
1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 54771882
1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 115808880
1-(2-chloro-4,5-difluorophenyl)-2,3-dimethylbutan-1-ol
CID 107477205
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
CID 79660738
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 107476243
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137
1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 107477047
1-chloro-2-(1-chloro-2-methylpropyl)-4,5-difluorobenzene
CID 107477429
1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol
CID 134861856

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol (CID 107477207) is 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol is OC(c1cc(F)c(F)cc1Cl)C(F)(F)C(F)F.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The InChIKey is MXKDFUIPPYFRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6O/c10-4-2-6(12)5(11)1-3(4)7(17)9(15,16)8(13)14/h1-2,7-8,17H.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol has a molecular weight of 278.58 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 107477207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).