(E)-1-iodo-2-(trifluoromethyl)hex-1-ene

C7H10F3I — CID 10516695

IUPAC(E)-1-iodo-2-(trifluoromethyl)hex-1-ene
SMILESCCCC/C(=C\I)C(F)(F)F
InChIInChI=1S/C7H10F3I/c1-2-3-4-6(5-11)7(8,9)10/h5H,2-4H2,1H3/b6-5+
InChIKeyMFEPMJJLWSGIRJ-AATRIKPKSA-N
MW278.05 g/mol
LogP4.06
Rot. Bonds3

About (E)-1-iodo-2-(trifluoromethyl)hex-1-ene

(E)-1-iodo-2-(trifluoromethyl)hex-1-ene (PubChem CID 10516695) has the molecular formula C7H10F3I and a molecular weight of 278.05 g/mol. Its IUPAC name is (E)-1-iodo-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-2-(trifluoromethyl)hex-1-ene
PubChem CID10516695
Molecular FormulaC7H10F3I
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name(E)-1-iodo-2-(trifluoromethyl)hex-1-ene
SMILESCCCC/C(=C\I)C(F)(F)F
InChIInChI=1S/C7H10F3I/c1-2-3-4-6(5-11)7(8,9)10/h5H,2-4H2,1H3/b6-5+
InChIKeyMFEPMJJLWSGIRJ-AATRIKPKSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
(E)-1-iodo-2-methylhex-1-ene
CID 12542067
(Z)-1-iodo-2-methylhex-1-ene
CID 12542068
(Z)-1-iodo-2-ethylpent-1-ene
CID 117640449
6,6,6-Trifluoro-2-methylhex-1-ene
CID 13379969
1,1,2-Trifluoro-6-methylhepta-1,6-diene
CID 19994177
4,4-Difluoro-2-methylpent-1-ene
CID 53633056
5,5-Difluoro-2-methylpent-1-ene
CID 53861601
2-(Trifluoromethyl)pent-1-ene
CID 54180845
3,3-Difluoro-2-methylpent-1-ene
CID 54193804
5,5,5-Trifluoro-2-methylpent-1-ene
CID 54350235
1,1-Difluoro-2,5-dimethylhexa-1,5-diene
CID 58962872

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of (E)-1-iodo-2-(trifluoromethyl)hex-1-ene (CID 10516695) is (E)-1-iodo-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for (E)-1-iodo-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for (E)-1-iodo-2-(trifluoromethyl)hex-1-ene is CCCC/C(=C\I)C(F)(F)F.
What is the InChIKey of (E)-1-iodo-2-(trifluoromethyl)hex-1-ene?
The InChIKey is MFEPMJJLWSGIRJ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10F3I/c1-2-3-4-6(5-11)7(8,9)10/h5H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-1-iodo-2-(trifluoromethyl)hex-1-ene?
(E)-1-iodo-2-(trifluoromethyl)hex-1-ene has a molecular weight of 278.05 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 10516695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).