[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride

C5H6ClF3OS — CID 165461488

IUPAC[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride
SMILESO=S(Cl)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H6ClF3OS/c6-11(10)3-4(1-2-4)5(7,8)9/h1-3H2
InChIKeyDTCFFWGVYWEJRC-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.23
Rot. Bonds2

About [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride

[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride (PubChem CID 165461488) has the molecular formula C5H6ClF3OS and a molecular weight of 206.62 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride
PubChem CID165461488
Molecular FormulaC5H6ClF3OS
Molecular Weight206.62 g/mol
Exact Mass205.98
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride
SMILESO=S(Cl)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H6ClF3OS/c6-11(10)3-4(1-2-4)5(7,8)9/h1-3H2
InChIKeyDTCFFWGVYWEJRC-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde
CID 131117989
(1-methylcyclobutyl)methanesulfinyl chloride
CID 165460099
N-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 130944302
(1-cyanocyclobutyl)methanesulfinyl chloride
CID 165452706
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404
(1-cyanocyclohexyl)methanesulfinyl chloride
CID 165452705
N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
CID 131039188
2,2-dideuterio-2-[1-(trifluoromethyl)cyclopropyl]acetonitrile
CID 139388964
CID 153335895
CID 153335895
1-(bromomethyl)-1-(trifluoromethyl)cyclopentane
CID 121208299
1-(trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
CID 169105569

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride (CID 165461488) is [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride is O=S(Cl)CC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride?
The InChIKey is DTCFFWGVYWEJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3OS/c6-11(10)3-4(1-2-4)5(7,8)9/h1-3H2.
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride?
[1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride has a molecular weight of 206.62 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methanesulfinyl chloride is sourced from PubChem (CID 165461488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).