5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene

C8H13F3 — CID 123843824

IUPAC5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene
SMILESCC(C)=C(CF)CC(C)(F)F
InChIInChI=1S/C8H13F3/c1-6(2)7(5-9)4-8(3,10)11/h4-5H2,1-3H3
InChIKeyMLFSVJNILKIGDM-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.34
Rot. Bonds3

About 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene

5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene (PubChem CID 123843824) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene.

Molecular Properties

Compound Name5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene
PubChem CID123843824
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene
SMILESCC(C)=C(CF)CC(C)(F)F
InChIInChI=1S/C8H13F3/c1-6(2)7(5-9)4-8(3,10)11/h4-5H2,1-3H3
InChIKeyMLFSVJNILKIGDM-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.34
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-Butylheptafluoroisobutene
CID 23264459
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453
4-Ethyl-1,1,1-trifluoro-3-hexene
CID 14400284
1,1,1-Trifluoro-2-(trifluoromethyl)hept-2-ene
CID 13027673
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
1,2-Dimethyl-4-(trifluoromethyl)cyclohexa-1,4-diene
CID 12717786
(Z)-4,5,5-trifluorooct-3-ene
CID 12951118
1,1,1,3,3,3-Hexafluoropropan-2-ylidenecyclopentane
CID 23263358
1,3,3,4,6,6-Hexafluoro-2,5-dimethylcyclohexa-1,4-diene
CID 71374055
1,1,1,2,2,6,6,7,7,7-Decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane
CID 20676945
1,2,4,5-Tetrakis(trifluoromethyl)cyclohexa-1,4-diene
CID 22022755
2,4-Dimethyl-3-(trifluoromethyl)pent-2-ene
CID 23384782

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene?
The IUPAC name of 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene (CID 123843824) is 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene.
What is the SMILES notation for 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene?
The canonical SMILES for 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene is CC(C)=C(CF)CC(C)(F)F.
What is the InChIKey of 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene?
The InChIKey is MLFSVJNILKIGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-6(2)7(5-9)4-8(3,10)11/h4-5H2,1-3H3.
What are the key properties of 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene?
5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene has a molecular weight of 166.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-(fluoromethyl)-2-methylhex-2-ene is sourced from PubChem (CID 123843824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).