3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene

C7H10F4 — CID 123767607

IUPAC3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene
SMILESC=CC(C(F)F)C(C)C(F)F
InChIInChI=1S/C7H10F4/c1-3-5(7(10)11)4(2)6(8)9/h3-7H,1H2,2H3
InChIKeyDSHYJPXTTJEFCQ-UHFFFAOYSA-N
MW170.15 g/mol
LogP2.95
Rot. Bonds4

About 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene

3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene (PubChem CID 123767607) has the molecular formula C7H10F4 and a molecular weight of 170.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene.

Molecular Properties

Compound Name3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene
PubChem CID123767607
Molecular FormulaC7H10F4
Molecular Weight170.15 g/mol
Exact Mass170.07
IUPAC Name3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene
SMILESC=CC(C(F)F)C(C)C(F)F
InChIInChI=1S/C7H10F4/c1-3-5(7(10)11)4(2)6(8)9/h3-7H,1H2,2H3
InChIKeyDSHYJPXTTJEFCQ-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 52.95
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

(3S)-3-fluoropent-1-ene
CID 122210024
4-ethenyl-3,5-dimethylheptane
CID 90755259
3-fluoro-4-methylpent-1-ene
CID 154549963
4-fluoro-3-methylpent-1-ene
CID 123956032
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
1,1,2,3,5,5-hexafluoro-4-methylpentane
CID 138705307
3,4-dimethylhexa-1,5-diene
CID 521244
3-methylbut-1-ene;hydrobromide
CID 158395600
1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;methane;2-methylbutane;3-methylbut-1-ene
CID 157324404
4-ethenyl-2,3,5-trimethyloctane
CID 123741658
(3E)-2-fluorohexa-3,5-dien-3-ol
CID 170094362
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene?
The IUPAC name of 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene (CID 123767607) is 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene.
What is the SMILES notation for 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene?
The canonical SMILES for 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene is C=CC(C(F)F)C(C)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene?
The InChIKey is DSHYJPXTTJEFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4/c1-3-5(7(10)11)4(2)6(8)9/h3-7H,1H2,2H3.
What are the key properties of 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene?
3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene has a molecular weight of 170.15 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene is sourced from PubChem (CID 123767607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).