(E)-3-(trifluoromethyl)hex-2-ene

C7H11F3 — CID 145226506

IUPAC(E)-3-(trifluoromethyl)hex-2-ene
SMILESC/C=C(\CCC)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-3-5-6(4-2)7(8,9)10/h4H,3,5H2,1-2H3/b6-4+
InChIKeySDHKMCFTXKQYTJ-GQCTYLIASA-N
MW152.16 g/mol
LogP3.30
Rot. Bonds2

About (E)-3-(trifluoromethyl)hex-2-ene

(E)-3-(trifluoromethyl)hex-2-ene (PubChem CID 145226506) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is (E)-3-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name(E)-3-(trifluoromethyl)hex-2-ene
PubChem CID145226506
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name(E)-3-(trifluoromethyl)hex-2-ene
SMILESC/C=C(\CCC)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-3-5-6(4-2)7(8,9)10/h4H,3,5H2,1-2H3/b6-4+
InChIKeySDHKMCFTXKQYTJ-GQCTYLIASA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
4,5-bis(trifluoromethyl)oct-4-ene
CID 140514090
(E)-4-(trifluoromethyl)tetradec-3-ene
CID 11536279
(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine
CID 162590268
(E)-3-(trifluoromethyl)oct-2-enoic acid
CID 82534928
butanoic acid;2,2,2-trifluoroacetic acid
CID 22460941
(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene
CID 21459272
(E)-1-methoxy-2-(trifluoromethyl)but-1-ene
CID 135181225
(E)-4-tert-butyloct-4-ene
CID 140632550
hex-2-ene-3-thiol
CID 173099237
europium;1,1,1-trifluoroheptane-2,4-dione
CID 159104336
4,8-ditert-butylundeca-4,7-dien-6-one
CID 139998297

Frequently Asked Questions

What is the IUPAC name of (E)-3-(trifluoromethyl)hex-2-ene?
The IUPAC name of (E)-3-(trifluoromethyl)hex-2-ene (CID 145226506) is (E)-3-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for (E)-3-(trifluoromethyl)hex-2-ene?
The canonical SMILES for (E)-3-(trifluoromethyl)hex-2-ene is C/C=C(\CCC)C(F)(F)F.
What is the InChIKey of (E)-3-(trifluoromethyl)hex-2-ene?
The InChIKey is SDHKMCFTXKQYTJ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11F3/c1-3-5-6(4-2)7(8,9)10/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-3-(trifluoromethyl)hex-2-ene?
(E)-3-(trifluoromethyl)hex-2-ene has a molecular weight of 152.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 145226506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).