2-(difluoromethyl)-5-methylhex-1-ene

C8H14F2 — CID 162606646

IUPAC2-(difluoromethyl)-5-methylhex-1-ene
SMILESC=C(CCC(C)C)C(F)F
InChIInChI=1S/C8H14F2/c1-6(2)4-5-7(3)8(9)10/h6,8H,3-5H2,1-2H3
InChIKeyGKSHVSRFGPSLGL-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.24
Rot. Bonds4

About 2-(difluoromethyl)-5-methylhex-1-ene

2-(difluoromethyl)-5-methylhex-1-ene (PubChem CID 162606646) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methylhex-1-ene.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methylhex-1-ene
PubChem CID162606646
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-(difluoromethyl)-5-methylhex-1-ene
SMILESC=C(CCC(C)C)C(F)F
InChIInChI=1S/C8H14F2/c1-6(2)4-5-7(3)8(9)10/h6,8H,3-5H2,1-2H3
InChIKeyGKSHVSRFGPSLGL-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.24
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

2,8-dimethyl-5-methylidenenonane
CID 545812
5-methylhex-1-en-2-ylphosphane
CID 143105119
2,9-dimethyl-6-methylidenedec-1-en-5-amine
CID 174272112
7-methyl-3-methylideneoctane-1,2-diol
CID 87429663
5-methylhex-1-en-2-amine;molecular hydrogen
CID 142092760
2,6,10-trimethyl-5-methylidenetetradecane
CID 91023399
2,6-dimethyl-3-methylideneheptan-2-amine
CID 135224839
5-methyl-N-(2-methylpropyl)hex-1-en-2-amine
CID 153336288
2,8-dimethylnon-1-en-5-one
CID 114473507
2,8-dimethyl-4-methylidenenonan-5-one
CID 121008739
N-ethyl-N,5-dimethylhex-1-en-2-amine
CID 89100834
2-methyl-5-methylideneundecane
CID 54320712

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methylhex-1-ene?
The IUPAC name of 2-(difluoromethyl)-5-methylhex-1-ene (CID 162606646) is 2-(difluoromethyl)-5-methylhex-1-ene.
What is the SMILES notation for 2-(difluoromethyl)-5-methylhex-1-ene?
The canonical SMILES for 2-(difluoromethyl)-5-methylhex-1-ene is C=C(CCC(C)C)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-methylhex-1-ene?
The InChIKey is GKSHVSRFGPSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-6(2)4-5-7(3)8(9)10/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-methylhex-1-ene?
2-(difluoromethyl)-5-methylhex-1-ene has a molecular weight of 148.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methylhex-1-ene is sourced from PubChem (CID 162606646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).