(E)-1-(trifluoromethylsulfonyl)undec-1-ene

C12H21F3O2S — CID 15504451

IUPAC(E)-1-(trifluoromethylsulfonyl)undec-1-ene
SMILESCCCCCCCCC/C=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H21F3O2S/c1-2-3-4-5-6-7-8-9-10-11-18(16,17)12(13,14)15/h10-11H,2-9H2,1H3/b11-10+
InChIKeyJJWCGPRTNFNRKF-ZHACJKMWSA-N
MW286.36 g/mol
LogP4.58
Rot. Bonds9

About (E)-1-(trifluoromethylsulfonyl)undec-1-ene

(E)-1-(trifluoromethylsulfonyl)undec-1-ene (PubChem CID 15504451) has the molecular formula C12H21F3O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfonyl)undec-1-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfonyl)undec-1-ene
PubChem CID15504451
Molecular FormulaC12H21F3O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name(E)-1-(trifluoromethylsulfonyl)undec-1-ene
SMILESCCCCCCCCC/C=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H21F3O2S/c1-2-3-4-5-6-7-8-9-10-11-18(16,17)12(13,14)15/h10-11H,2-9H2,1H3/b11-10+
InChIKeyJJWCGPRTNFNRKF-ZHACJKMWSA-N
XLogP4.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecene-1-sulfonic acid, sodium salt
CID 74086827
(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 15261380
1-Tetradecene-1-sulfonic acid, sodium salt (1:1)
CID 23712986
(3E)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 101990457
(Z)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 166440967
(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
CID 166441191
tributyl-[(E,3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-enyl]stannane
CID 177604230
5-(1,1-Difluorobut-3-enylsulfonyl)nona-1,8-diene
CID 21357092
Dodecene-1-sulfonic acid, sodium salt (1:1)
CID 23688944
1-tetradecene-1-sulfonic acid, sodium salt
CID 53438066
1-Ethylsulfonyl-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene
CID 56617655
1-Ethylsulfonyl-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene
CID 56624975

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfonyl)undec-1-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfonyl)undec-1-ene (CID 15504451) is (E)-1-(trifluoromethylsulfonyl)undec-1-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfonyl)undec-1-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfonyl)undec-1-ene is CCCCCCCCC/C=C/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfonyl)undec-1-ene?
The InChIKey is JJWCGPRTNFNRKF-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H21F3O2S/c1-2-3-4-5-6-7-8-9-10-11-18(16,17)12(13,14)15/h10-11H,2-9H2,1H3/b11-10+.
What are the key properties of (E)-1-(trifluoromethylsulfonyl)undec-1-ene?
(E)-1-(trifluoromethylsulfonyl)undec-1-ene has a molecular weight of 286.36 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfonyl)undec-1-ene is sourced from PubChem (CID 15504451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).