(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide

C7H12F3NO3S — CID 158194058

IUPAC(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide
SMILESC=CC[C@H](CCOC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C7H12F3NO3S/c1-2-3-6(15(11,12)13)4-5-14-7(8,9)10/h2,6H,1,3-5H2,(H2,11,12,13)/t6-/m1/s1
InChIKeyOLJSDQZTBZVECG-ZCFIWIBFSA-N
MW247.24 g/mol
LogP1.15
Rot. Bonds6

About (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide

(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide (PubChem CID 158194058) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide
PubChem CID158194058
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide
SMILESC=CC[C@H](CCOC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C7H12F3NO3S/c1-2-3-6(15(11,12)13)4-5-14-7(8,9)10/h2,6H,1,3-5H2,(H2,11,12,13)/t6-/m1/s1
InChIKeyOLJSDQZTBZVECG-ZCFIWIBFSA-N
XLogP1.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hex-5-ene-3-sulfonamide
CID 118903567
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
CID 130367305
methyl 2-(trifluoromethylsulfonyloxy)pent-4-enoate
CID 59544976
6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
CID 58219567
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
(2R)-1,1-difluorohex-5-ene-2-sulfonamide
CID 161414952
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
4-methylsulfonylhex-1-ene
CID 22082516

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide?
The IUPAC name of (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide (CID 158194058) is (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide.
What is the SMILES notation for (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide?
The canonical SMILES for (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide is C=CC[C@H](CCOC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide?
The InChIKey is OLJSDQZTBZVECG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-2-3-6(15(11,12)13)4-5-14-7(8,9)10/h2,6H,1,3-5H2,(H2,11,12,13)/t6-/m1/s1.
What are the key properties of (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide?
(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide has a molecular weight of 247.24 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide is sourced from PubChem (CID 158194058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).