(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride

C6H9ClF2OS — CID 165452888

IUPAC(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride
SMILESCC1(C)C(CS(=O)Cl)C1(F)F
InChIInChI=1S/C6H9ClF2OS/c1-5(2)4(3-11(7)10)6(5,8)9/h4H,3H2,1-2H3
InChIKeyOLRITDBIPSJQGS-UHFFFAOYSA-N
MW202.65 g/mol
LogP2.18
Rot. Bonds2

About (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride

(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride (PubChem CID 165452888) has the molecular formula C6H9ClF2OS and a molecular weight of 202.65 g/mol. Its IUPAC name is (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride.

Molecular Properties

Compound Name(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride
PubChem CID165452888
Molecular FormulaC6H9ClF2OS
Molecular Weight202.65 g/mol
Exact Mass202.00
IUPAC Name(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride
SMILESCC1(C)C(CS(=O)Cl)C1(F)F
InChIInChI=1S/C6H9ClF2OS/c1-5(2)4(3-11(7)10)6(5,8)9/h4H,3H2,1-2H3
InChIKeyOLRITDBIPSJQGS-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-2,2-difluoro-3,3-dimethylcyclopropyl]-N-methylmethanamine
CID 129498501
(1-methylcyclobutyl)methanesulfinyl chloride
CID 165460099
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
CID 126845185
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine
CID 126845093
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine;dihydrochloride
CID 126845092
2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane
CID 118043643
4-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]piperidine
CID 126845134
(S)-2-methylpropane-2-sulfinyl chloride
CID 98043154
2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride
CID 126845171
1-ethyl-3-fluoro-1,2,2-trimethylcyclopropane
CID 121273952
ethyl 4-(chlorosulfinylmethyl)-4-fluorocyclohexane-1-carboxylate
CID 165452802

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride?
The IUPAC name of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride (CID 165452888) is (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride.
What is the SMILES notation for (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride?
The canonical SMILES for (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride is CC1(C)C(CS(=O)Cl)C1(F)F.
What is the InChIKey of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride?
The InChIKey is OLRITDBIPSJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2OS/c1-5(2)4(3-11(7)10)6(5,8)9/h4H,3H2,1-2H3.
What are the key properties of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride?
(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride has a molecular weight of 202.65 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfinyl chloride is sourced from PubChem (CID 165452888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).