(E)-1-(trifluoromethylsulfonyl)hept-1-ene

C8H13F3O2S — CID 11075213

IUPAC(E)-1-(trifluoromethylsulfonyl)hept-1-ene
SMILESCCCCC/C=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O2S/c1-2-3-4-5-6-7-14(12,13)8(9,10)11/h6-7H,2-5H2,1H3/b7-6+
InChIKeyUAGVXJPFBKHMGP-VOTSOKGWSA-N
MW230.25 g/mol
LogP3.02
Rot. Bonds5

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

(E)-1-(trifluoromethylsulfonyl)hept-1-ene (PubChem CID 11075213) has the molecular formula C8H13F3O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfonyl)hept-1-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfonyl)hept-1-ene
PubChem CID11075213
Molecular FormulaC8H13F3O2S
Molecular Weight230.25 g/mol
Exact Mass230.06
IUPAC Name(E)-1-(trifluoromethylsulfonyl)hept-1-ene
SMILESCCCCC/C=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O2S/c1-2-3-4-5-6-7-14(12,13)8(9,10)11/h6-7H,2-5H2,1H3/b7-6+
InChIKeyUAGVXJPFBKHMGP-VOTSOKGWSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.02
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

(Z)-2-iodo-1-(trifluoromethylsulfonyl)oct-1-ene
CID 15261378
(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 15261380
(3E)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 101990457
(E)-2-iodo-1-(trifluoromethylsulfonyl)oct-1-ene
CID 134879385
1-Ethylsulfonyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
CID 56605515
1-Ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
CID 57286604
6-(Trifluoromethylsulfonyl)hex-1-ene
CID 87201483
7-(Trifluoromethylsulfonyl)oct-1-ene
CID 87831649
2,2,2-trifluoroethyl (E)-hept-1-ene-1-sulfonate
CID 88547768
2,2,2-trifluoroethyl (E)-hex-1-ene-1-sulfonate
CID 88547778
2,2,2-Trifluoroethyl hex-1-ene-1-sulfonate
CID 123592645
2,2,2-Trifluoroethyl hept-1-ene-1-sulfonate
CID 123813360

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfonyl)hept-1-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfonyl)hept-1-ene (CID 11075213) is (E)-1-(trifluoromethylsulfonyl)hept-1-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfonyl)hept-1-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfonyl)hept-1-ene is CCCCC/C=C/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfonyl)hept-1-ene?
The InChIKey is UAGVXJPFBKHMGP-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13F3O2S/c1-2-3-4-5-6-7-14(12,13)8(9,10)11/h6-7H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1-(trifluoromethylsulfonyl)hept-1-ene?
(E)-1-(trifluoromethylsulfonyl)hept-1-ene has a molecular weight of 230.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfonyl)hept-1-ene is sourced from PubChem (CID 11075213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).