1,1,1-trifluoropentane-2-sulfonamide

C5H10F3NO2S — CID 114827591

IUPAC1,1,1-trifluoropentane-2-sulfonamide
SMILESCCCC(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-2-3-4(5(6,7)8)12(9,10)11/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyUUMUTRXQDNUKBF-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.01
Rot. Bonds3

About 1,1,1-trifluoropentane-2-sulfonamide

1,1,1-trifluoropentane-2-sulfonamide (PubChem CID 114827591) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1,1,1-trifluoropentane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoropentane-2-sulfonamide
PubChem CID114827591
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1,1,1-trifluoropentane-2-sulfonamide
SMILESCCCC(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-2-3-4(5(6,7)8)12(9,10)11/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyUUMUTRXQDNUKBF-UHFFFAOYSA-N
XLogP1.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-4-methylpentane-2-sulfonamide
CID 114827666
1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
CID 114827612
3-ethylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64696760
2,2-dimethylpentane-3-sulfonamide
CID 87086978
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
3-(trifluoromethyl)hexyl methanesulfonate
CID 59378439
sodium 1,1,1-trifluorononane-2-sulfonate
CID 139974263
1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
CID 114827711
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
3-methylheptane-4-sulfonamide
CID 87086949
N-(1-aminobutyl)hydroxylamine;trifluoromethanesulfonic acid
CID 157234368
5,5-dipropyloctane-4-sulfonic acid
CID 175559020

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropentane-2-sulfonamide?
The IUPAC name of 1,1,1-trifluoropentane-2-sulfonamide (CID 114827591) is 1,1,1-trifluoropentane-2-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoropentane-2-sulfonamide?
The canonical SMILES for 1,1,1-trifluoropentane-2-sulfonamide is CCCC(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoropentane-2-sulfonamide?
The InChIKey is UUMUTRXQDNUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-3-4(5(6,7)8)12(9,10)11/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 1,1,1-trifluoropentane-2-sulfonamide?
1,1,1-trifluoropentane-2-sulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropentane-2-sulfonamide is sourced from PubChem (CID 114827591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).