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

C7H7ClF2OS — CID 130701576

IUPAC1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)c1sccc1Cl
InChIInChI=1S/C7H7ClF2OS/c1-7(9,10)6(11)5-4(8)2-3-12-5/h2-3,6,11H,1H3
InChIKeyLGENNHSXAAWMFS-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.09
Rot. Bonds2

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

1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol (PubChem CID 130701576) has the molecular formula C7H7ClF2OS and a molecular weight of 212.65 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
PubChem CID130701576
Molecular FormulaC7H7ClF2OS
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Name1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)c1sccc1Cl
InChIInChI=1S/C7H7ClF2OS/c1-7(9,10)6(11)5-4(8)2-3-12-5/h2-3,6,11H,1H3
InChIKeyLGENNHSXAAWMFS-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 107359559
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
CID 115817404
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
1-(3-chlorothiophen-2-yl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 107359632
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659
3-chloro-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80530259
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol (CID 130701576) is 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol is CC(F)(F)C(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol?
The InChIKey is LGENNHSXAAWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2OS/c1-7(9,10)6(11)5-4(8)2-3-12-5/h2-3,6,11H,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol?
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol has a molecular weight of 212.65 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 130701576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).