6,6,6-trifluoro-2-methylhex-1-ene

C7H11F3 — CID 13379969

IUPAC6,6,6-trifluoro-2-methylhex-1-ene
SMILESC=C(C)CCCC(F)(F)F
InChIInChI=1S/C7H11F3/c1-6(2)4-3-5-7(8,9)10/h1,3-5H2,2H3
InChIKeyMCYRIEJBDNIFOU-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.30
Rot. Bonds3

About 6,6,6-trifluoro-2-methylhex-1-ene

6,6,6-trifluoro-2-methylhex-1-ene (PubChem CID 13379969) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methylhex-1-ene.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methylhex-1-ene
PubChem CID13379969
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name6,6,6-trifluoro-2-methylhex-1-ene
SMILESC=C(C)CCCC(F)(F)F
InChIInChI=1S/C7H11F3/c1-6(2)4-3-5-7(8,9)10/h1,3-5H2,2H3
InChIKeyMCYRIEJBDNIFOU-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

1,1-Difluoro-4-methylidenecyclohexane
CID 57493857
1-(Difluoromethylidene)-4-methylidenecyclohexane
CID 12965534
3,3-Difluoro-2-methylbut-1-ene
CID 88272296
5,5,5-Trifluoro-2,4-dimethylpent-1-ene
CID 13379970
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
2-(Trifluoromethyl)dodec-1-ene
CID 135085774
1,1,1-Trifluoro-5-methylenenonane
CID 146018294
1,1,1-Trifluoro-4-methyleneoctane
CID 146018304
1,1,1-Trifluoro-6-methylenedecane
CID 146018318
(E)-1-iodo-2-(trifluoromethyl)hex-1-ene
CID 10516695
2-(Trifluoromethyl)dec-1-ene
CID 14295680

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methylhex-1-ene?
The IUPAC name of 6,6,6-trifluoro-2-methylhex-1-ene (CID 13379969) is 6,6,6-trifluoro-2-methylhex-1-ene.
What is the SMILES notation for 6,6,6-trifluoro-2-methylhex-1-ene?
The canonical SMILES for 6,6,6-trifluoro-2-methylhex-1-ene is C=C(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methylhex-1-ene?
The InChIKey is MCYRIEJBDNIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-6(2)4-3-5-7(8,9)10/h1,3-5H2,2H3.
What are the key properties of 6,6,6-trifluoro-2-methylhex-1-ene?
6,6,6-trifluoro-2-methylhex-1-ene has a molecular weight of 152.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methylhex-1-ene is sourced from PubChem (CID 13379969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).