2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol

C8H5ClF4O — CID 112575331

IUPAC2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(F)c(F)c1)C(F)(F)Cl
InChIInChI=1S/C8H5ClF4O/c9-8(12,13)7(14)4-1-2-5(10)6(11)3-4/h1-3,7,14H
InChIKeyVGSWTMLYWJMFLV-UHFFFAOYSA-N
MW228.57 g/mol
LogP2.83
Rot. Bonds2

About 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol

2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol (PubChem CID 112575331) has the molecular formula C8H5ClF4O and a molecular weight of 228.57 g/mol. Its IUPAC name is 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol
PubChem CID112575331
Molecular FormulaC8H5ClF4O
Molecular Weight228.57 g/mol
Exact Mass228.00
IUPAC Name2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(F)c(F)c1)C(F)(F)Cl
InChIInChI=1S/C8H5ClF4O/c9-8(12,13)7(14)4-1-2-5(10)6(11)3-4/h1-3,7,14H
InChIKeyVGSWTMLYWJMFLV-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 105265461
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanol
CID 112575230
1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol
CID 143865225
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 112575182
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514
2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol?
The IUPAC name of 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol (CID 112575331) is 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol is OC(c1ccc(F)c(F)c1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol?
The InChIKey is VGSWTMLYWJMFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O/c9-8(12,13)7(14)4-1-2-5(10)6(11)3-4/h1-3,7,14H.
What are the key properties of 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol?
2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol has a molecular weight of 228.57 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 112575331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).