1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol

C7H6Cl2F2OS — CID 130534535

IUPAC1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1sccc1Cl)C(F)(F)Cl
InChIInChI=1S/C7H6Cl2F2OS/c8-4-1-2-13-5(4)3-6(12)7(9,10)11/h1-2,6,12H,3H2
InChIKeyAJNWXEVVMSZNIZ-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.14
Rot. Bonds3

About 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol

1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol (PubChem CID 130534535) has the molecular formula C7H6Cl2F2OS and a molecular weight of 247.09 g/mol. Its IUPAC name is 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
PubChem CID130534535
Molecular FormulaC7H6Cl2F2OS
Molecular Weight247.09 g/mol
Exact Mass245.95
IUPAC Name1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1sccc1Cl)C(F)(F)Cl
InChIInChI=1S/C7H6Cl2F2OS/c8-4-1-2-13-5(4)3-6(12)7(9,10)11/h1-2,6,12H,3H2
InChIKeyAJNWXEVVMSZNIZ-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 112575169
3-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)propanoic acid
CID 112749439
2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 130534531
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol
CID 112749460
1-chloro-3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 112575174
3-(3-chlorothiophen-2-yl)propan-1-ol
CID 55266094
1-(3-chlorothiophen-2-yl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 112749476
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
1-(3-chlorothiophen-2-yl)undecan-2-amine
CID 112749736

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol (CID 130534535) is 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol is OC(Cc1sccc1Cl)C(F)(F)Cl.
What is the InChIKey of 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The InChIKey is AJNWXEVVMSZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2OS/c8-4-1-2-13-5(4)3-6(12)7(9,10)11/h1-2,6,12H,3H2.
What are the key properties of 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol has a molecular weight of 247.09 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 130534535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).