4,4-difluoro-2-methylbut-1-ene

C5H8F2 — CID 14092773

IUPAC4,4-difluoro-2-methylbut-1-ene
SMILESC=C(C)CC(F)F
InChIInChI=1S/C5H8F2/c1-4(2)3-5(6)7/h5H,1,3H2,2H3
InChIKeyNQRRDWDXLFTCKB-UHFFFAOYSA-N
MW106.11 g/mol
LogP2.22
Rot. Bonds2

About 4,4-difluoro-2-methylbut-1-ene

4,4-difluoro-2-methylbut-1-ene (PubChem CID 14092773) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 4,4-difluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name4,4-difluoro-2-methylbut-1-ene
PubChem CID14092773
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name4,4-difluoro-2-methylbut-1-ene
SMILESC=C(C)CC(F)F
InChIInChI=1S/C5H8F2/c1-4(2)3-5(6)7/h5H,1,3H2,2H3
InChIKeyNQRRDWDXLFTCKB-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 52.22
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-(Trifluoromethyl)propene
CID 136214
1-Butene, 1,1-difluoro-2-methyl-
CID 10975428
1,1-Difluoro-3-methyl-1,3-butadiene
CID 13759165
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
3,3-Difluoro-2-methylbut-1-ene
CID 88272296
3,3-Difluoro-2-methyl-1,4-pentadiene
CID 119098121
2-Methylprop-1-ene;1,1,2,2-tetrafluoroethene
CID 21419423
6,6,6-Trifluoro-2-methylhex-1-ene
CID 13379969
4-Fluoro-2-methyl-1-butene
CID 13669111
2-Methyl-3,3-difluoro-1-propene
CID 15507527
3-(Difluoromethylidene)pentane
CID 15761369

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methylbut-1-ene?
The IUPAC name of 4,4-difluoro-2-methylbut-1-ene (CID 14092773) is 4,4-difluoro-2-methylbut-1-ene.
What is the SMILES notation for 4,4-difluoro-2-methylbut-1-ene?
The canonical SMILES for 4,4-difluoro-2-methylbut-1-ene is C=C(C)CC(F)F.
What is the InChIKey of 4,4-difluoro-2-methylbut-1-ene?
The InChIKey is NQRRDWDXLFTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-4(2)3-5(6)7/h5H,1,3H2,2H3.
What are the key properties of 4,4-difluoro-2-methylbut-1-ene?
4,4-difluoro-2-methylbut-1-ene has a molecular weight of 106.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methylbut-1-ene is sourced from PubChem (CID 14092773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).