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

C7H5ClF2OS — CID 130626646

IUPAC1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1sccc1Cl
InChIInChI=1S/C7H5ClF2OS/c1-7(9,10)6(11)5-4(8)2-3-12-5/h2-3H,1H3
InChIKeyHHFQCCPUHRABSJ-UHFFFAOYSA-N
MW210.63 g/mol
LogP3.24
Rot. Bonds2

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

1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one (PubChem CID 130626646) has the molecular formula C7H5ClF2OS and a molecular weight of 210.63 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
PubChem CID130626646
Molecular FormulaC7H5ClF2OS
Molecular Weight210.63 g/mol
Exact Mass209.97
IUPAC Name1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1sccc1Cl
InChIInChI=1S/C7H5ClF2OS/c1-7(9,10)6(11)5-4(8)2-3-12-5/h2-3H,1H3
InChIKeyHHFQCCPUHRABSJ-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-one
CID 80529884
1-(3-chlorothiophen-2-yl)-2-methoxy-3,3-dimethylbutan-1-one
CID 107359452
3-amino-1-(3-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 107361556
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chlorothiophene-2-carboxamide
CID 80645165
3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 22147888
(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 80530092
1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
CID 80645182
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid
CID 80529440
(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
CID 80641264

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one (CID 130626646) is 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
The InChIKey is HHFQCCPUHRABSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2OS/c1-7(9,10)6(11)5-4(8)2-3-12-5/h2-3H,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one has a molecular weight of 210.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 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-one is sourced from PubChem (CID 130626646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).