2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol

C7H7ClF2OS — CID 80605123

IUPAC2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(Cl)s1)C(F)F
InChIInChI=1S/C7H7ClF2OS/c1-7(11,6(9)10)4-2-3-5(8)12-4/h2-3,6,11H,1H3
InChIKeyHCLORFSWXCNUBW-UHFFFAOYSA-N
MW212.65 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol

2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol (PubChem CID 80605123) has the molecular formula C7H7ClF2OS and a molecular weight of 212.65 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
PubChem CID80605123
Molecular FormulaC7H7ClF2OS
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Name2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(Cl)s1)C(F)F
InChIInChI=1S/C7H7ClF2OS/c1-7(11,6(9)10)4-2-3-5(8)12-4/h2-3,6,11H,1H3
InChIKeyHCLORFSWXCNUBW-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol (CID 80605123) is 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol is CC(O)(c1ccc(Cl)s1)C(F)F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The InChIKey is HCLORFSWXCNUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2OS/c1-7(11,6(9)10)4-2-3-5(8)12-4/h2-3,6,11H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol has a molecular weight of 212.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 80605123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).