1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol

C10H9ClF2O — CID 14168665

IUPAC1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol
SMILESC=CC(F)(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClF2O/c1-2-10(12,13)9(14)7-3-5-8(11)6-4-7/h2-6,9,14H,1H2
InChIKeyYFUMZNYEMDHMMC-UHFFFAOYSA-N
MW218.63 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol

1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol (PubChem CID 14168665) has the molecular formula C10H9ClF2O and a molecular weight of 218.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol
PubChem CID14168665
Molecular FormulaC10H9ClF2O
Molecular Weight218.63 g/mol
Exact Mass218.03
IUPAC Name1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol
SMILESC=CC(F)(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClF2O/c1-2-10(12,13)9(14)7-3-5-8(11)6-4-7/h2-6,9,14H,1H2
InChIKeyYFUMZNYEMDHMMC-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichlorobenzyl alcohol
CID 15684
4-Chlorobenzyl alcohol
CID 13397
3-Chlorobenzyl alcohol
CID 70117
(1R)-3-chloro-1-phenylpropan-1-ol
CID 642409
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
1-(3-Chlorophenyl)-2,2-dichloroethanol
CID 33983
p-Chlorophenethylic alcohol
CID 74647
(S)-alpha-(Trifluoromethyl)benzyl alcohol
CID 95556
2-Fluoro-1-phenylethan-1-ol
CID 9946
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol (CID 14168665) is 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol is C=CC(F)(F)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol?
The InChIKey is YFUMZNYEMDHMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O/c1-2-10(12,13)9(14)7-3-5-8(11)6-4-7/h2-6,9,14H,1H2.
What are the key properties of 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol?
1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol has a molecular weight of 218.63 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-difluorobut-3-en-1-ol is sourced from PubChem (CID 14168665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).