(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride

C5H7F3O2S — CID 165459368

IUPAC(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)CC1(F)F
InChIInChI=1S/C5H7F3O2S/c1-4(2-5(4,6)7)3-11(8,9)10/h2-3H2,1H3
InChIKeyVUEHHTTTZGQYJK-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.33
Rot. Bonds2

About (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride

(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride (PubChem CID 165459368) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride
PubChem CID165459368
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)CC1(F)F
InChIInChI=1S/C5H7F3O2S/c1-4(2-5(4,6)7)3-11(8,9)10/h2-3H2,1H3
InChIKeyVUEHHTTTZGQYJK-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
CID 126823133
[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride
CID 58201875
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
1-methylcyclopropane-1-sulfonyl fluoride
CID 162341526
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
1-(1-adamantylamino)-N-methylmethanesulfonamide
CID 123878193
1-(bromomethyl)-1,2,2-trimethylcyclopropane
CID 165442434
1,1-difluoro-2,2,3,3-tetramethylcyclobutane
CID 121431746
2-bromoethanesulfonyl fluoride
CID 87324198
1,1-difluoro-3-methyl-3-(sulfamoylamino)cyclobutane
CID 167493650

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride?
The IUPAC name of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride (CID 165459368) is (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride.
What is the SMILES notation for (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride?
The canonical SMILES for (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride is CC1(CS(=O)(=O)F)CC1(F)F.
What is the InChIKey of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride?
The InChIKey is VUEHHTTTZGQYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c1-4(2-5(4,6)7)3-11(8,9)10/h2-3H2,1H3.
What are the key properties of (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride?
(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride has a molecular weight of 188.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride is sourced from PubChem (CID 165459368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).