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

C8H9ClF2OS — CID 131081703

IUPAC1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
SMILESCC(F)(F)CC(O)c1sccc1Cl
InChIInChI=1S/C8H9ClF2OS/c1-8(10,11)4-6(12)7-5(9)2-3-13-7/h2-3,6,12H,4H2,1H3
InChIKeyLXDGONTYJWPAAI-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.48
Rot. Bonds3

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

1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol (PubChem CID 131081703) has the molecular formula C8H9ClF2OS and a molecular weight of 226.68 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
PubChem CID131081703
Molecular FormulaC8H9ClF2OS
Molecular Weight226.68 g/mol
Exact Mass226.00
IUPAC Name1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
SMILESCC(F)(F)CC(O)c1sccc1Cl
InChIInChI=1S/C8H9ClF2OS/c1-8(10,11)4-6(12)7-5(9)2-3-13-7/h2-3,6,12H,4H2,1H3
InChIKeyLXDGONTYJWPAAI-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576
(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol
CID 107359197
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol (CID 131081703) is 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol is CC(F)(F)CC(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol?
The InChIKey is LXDGONTYJWPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2OS/c1-8(10,11)4-6(12)7-5(9)2-3-13-7/h2-3,6,12H,4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol?
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol has a molecular weight of 226.68 g/mol, XLogP of 3.48, 3 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)-3,3-difluorobutan-1-ol is sourced from PubChem (CID 131081703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).