[1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride

C5H6F4O2S — CID 165460919

IUPAC[1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride
SMILESO=S(=O)(F)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H6F4O2S/c6-5(7,8)4(1-2-4)3-12(9,10)11/h1-3H2
InChIKeyLCLPWVWTOOIHIP-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.63
Rot. Bonds2

About [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride

[1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride (PubChem CID 165460919) has the molecular formula C5H6F4O2S and a molecular weight of 206.16 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride
PubChem CID165460919
Molecular FormulaC5H6F4O2S
Molecular Weight206.16 g/mol
Exact Mass206.00
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride
SMILESO=S(=O)(F)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H6F4O2S/c6-5(7,8)4(1-2-4)3-12(9,10)11/h1-3H2
InChIKeyLCLPWVWTOOIHIP-UHFFFAOYSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl chloride
CID 122163796
[1-(Trifluoromethyl)cyclopropyl]methanesulfonic acid
CID 175078887
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butane-1-sulfonate
CID 101238822
[(1R)-2,2-difluoro-1-methylcyclopropyl]methanesulfonyl chloride
CID 124298489
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanesulfonyl chloride
CID 124298490
(1-Fluorocyclopropyl)methanesulfonyl fluoride
CID 165452669
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl fluoride
CID 165459368
[1-(Difluoromethyl)cyclopropyl]methanesulfonyl fluoride
CID 165459729
[2-(Trifluoromethyl)cyclopropyl]methanesulfonyl fluoride
CID 165665770
(2,2-Difluorocyclopropyl)methanesulfonyl fluoride
CID 165686056

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride (CID 165460919) is [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride is O=S(=O)(F)CC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride?
The InChIKey is LCLPWVWTOOIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2S/c6-5(7,8)4(1-2-4)3-12(9,10)11/h1-3H2.
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride?
[1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride has a molecular weight of 206.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methanesulfonyl fluoride is sourced from PubChem (CID 165460919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).