[1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride

C5H7F3O2S — CID 165459729

IUPAC[1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride
SMILESO=S(=O)(F)CC1(C(F)F)CC1
InChIInChI=1S/C5H7F3O2S/c6-4(7)5(1-2-5)3-11(8,9)10/h4H,1-3H2
InChIKeyPPGZUNCMBNSATH-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.33
Rot. Bonds3

About [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride

[1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride (PubChem CID 165459729) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride
PubChem CID165459729
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name[1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride
SMILESO=S(=O)(F)CC1(C(F)F)CC1
InChIInChI=1S/C5H7F3O2S/c6-4(7)5(1-2-5)3-11(8,9)10/h4H,1-3H2
InChIKeyPPGZUNCMBNSATH-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride?
The IUPAC name of [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride (CID 165459729) is [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride?
The canonical SMILES for [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride is O=S(=O)(F)CC1(C(F)F)CC1.
What is the InChIKey of [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride?
The InChIKey is PPGZUNCMBNSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c6-4(7)5(1-2-5)3-11(8,9)10/h4H,1-3H2.
What are the key properties of [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride?
[1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride has a molecular weight of 188.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)cyclopropyl]methanesulfonyl fluoride is sourced from PubChem (CID 165459729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).