1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide

C10H16F3NO2S — CID 162577578

IUPAC1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide
SMILESC/C=C\C1CCCC1CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-2-4-8-5-3-6-9(8)7-14-17(15,16)10(11,12)13/h2,4,8-9,14H,3,5-7H2,1H3/b4-2-
InChIKeyYHORNYQGCLGHIT-RQOWECAXSA-N
MW271.30 g/mol
LogP2.42
Rot. Bonds4

About 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide (PubChem CID 162577578) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide
PubChem CID162577578
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide
SMILESC/C=C\C1CCCC1CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-2-4-8-5-3-6-9(8)7-14-17(15,16)10(11,12)13/h2,4,8-9,14H,3,5-7H2,1H3/b4-2-
InChIKeyYHORNYQGCLGHIT-RQOWECAXSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 15759318
CID 15759318
CID 24897460
CID 24897460
CID 24897461
CID 24897461
CID 59169057
CID 59169057
CID 69224556
CID 69224556
CID 70948125
CID 70948125
CID 71042682
CID 71042682
CID 71136950
CID 71136950
CID 87415339
CID 87415339
CID 87415340
CID 87415340
CID 89983747
CID 89983747
CID 157620167
CID 157620167

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide (CID 162577578) is 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide is C/C=C\C1CCCC1CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide?
The InChIKey is YHORNYQGCLGHIT-RQOWECAXSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c1-2-4-8-5-3-6-9(8)7-14-17(15,16)10(11,12)13/h2,4,8-9,14H,3,5-7H2,1H3/b4-2-.
What are the key properties of 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide has a molecular weight of 271.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[[2-[(Z)-prop-1-enyl]cyclopentyl]methyl]methanesulfonamide is sourced from PubChem (CID 162577578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).