1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide

C6H10F3NO2S — CID 126987845

IUPAC1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCC[C@H]1F)C(F)F
InChIInChI=1S/C6H10F3NO2S/c7-4-2-1-3-5(4)10-13(11,12)6(8)9/h4-6,10H,1-3H2/t4-,5+/m1/s1
InChIKeyBYKDKDMPHUGGIE-UHNVWZDZSA-N
MW217.21 g/mol
LogP1.02
Rot. Bonds3

About 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide

1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide (PubChem CID 126987845) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide
PubChem CID126987845
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCC[C@H]1F)C(F)F
InChIInChI=1S/C6H10F3NO2S/c7-4-2-1-3-5(4)10-13(11,12)6(8)9/h4-6,10H,1-3H2/t4-,5+/m1/s1
InChIKeyBYKDKDMPHUGGIE-UHNVWZDZSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide (CID 126987845) is 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide is O=S(=O)(N[C@H]1CCC[C@H]1F)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide?
The InChIKey is BYKDKDMPHUGGIE-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-4-2-1-3-5(4)10-13(11,12)6(8)9/h4-6,10H,1-3H2/t4-,5+/m1/s1.
What are the key properties of 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide?
1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(1S,2R)-2-fluorocyclopentyl]methanesulfonamide is sourced from PubChem (CID 126987845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).