(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene

C7H11F3 — CID 23384625

IUPAC(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene
SMILESC/C(=C\C(F)(F)F)C(C)C
InChIInChI=1S/C7H11F3/c1-5(2)6(3)4-7(8,9)10/h4-5H,1-3H3/b6-4+
InChIKeyQBDWPRBTPHGDRD-GQCTYLIASA-N
MW152.16 g/mol
LogP3.15
Rot. Bonds1

About (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene

(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene (PubChem CID 23384625) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene
PubChem CID23384625
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene
SMILESC/C(=C\C(F)(F)F)C(C)C
InChIInChI=1S/C7H11F3/c1-5(2)6(3)4-7(8,9)10/h4-5H,1-3H3/b6-4+
InChIKeyQBDWPRBTPHGDRD-GQCTYLIASA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.15
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

trans-3,4-Dimethyl-2-pentene
CID 638068
cis-3,4-Dimethyl-2-pentene
CID 643784
3,4-Dimethyl-2-pentene
CID 32737
5,5-Difluoro-2-methylpent-2-ene
CID 14092768
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878
4-Methyl-2-trifluoromethylpentadiene
CID 90166011
4-Fluoro-3-methylpent-2-ene
CID 123511146
4-Ethyl-1,1,1-trifluoro-3-hexene
CID 14400284
(E)-6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
CID 23233539
5,5,6,6,6-Pentafluoro-2-methylhex-2-ene
CID 86128587
5,6,6,6-Tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
CID 86128591
2-Hexene, 6,6,6-trifluoro-5-(trifluoromethyl)-, (Z)-
CID 5364828

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene (CID 23384625) is (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene is C/C(=C\C(F)(F)F)C(C)C.
What is the InChIKey of (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene?
The InChIKey is QBDWPRBTPHGDRD-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11F3/c1-5(2)6(3)4-7(8,9)10/h4-5H,1-3H3/b6-4+.
What are the key properties of (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene?
(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene has a molecular weight of 152.16 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene is sourced from PubChem (CID 23384625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).