4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene

C7H8F6 — CID 12562976

IUPAC4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene
SMILESC=C(C)CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-4(2)3-6(9,10)5(8)7(11,12)13/h5H,1,3H2,2H3
InChIKeyKFSPGRSXTIQRHI-UHFFFAOYSA-N
MW206.13 g/mol
LogP3.49
Rot. Bonds3

About 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene

4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene (PubChem CID 12562976) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene.

Molecular Properties

Compound Name4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene
PubChem CID12562976
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene
SMILESC=C(C)CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-4(2)3-6(9,10)5(8)7(11,12)13/h5H,1,3H2,2H3
InChIKeyKFSPGRSXTIQRHI-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 53.49
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

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2,2,3,4,4,4-hexafluoro-N,N-bis(trimethylsilyl)butan-1-amine
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carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
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4,5-difluoro-2,5-dimethylhept-1-ene
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CID 145388380
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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene?
The IUPAC name of 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene (CID 12562976) is 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene.
What is the SMILES notation for 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene?
The canonical SMILES for 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene is C=C(C)CC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene?
The InChIKey is KFSPGRSXTIQRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6/c1-4(2)3-6(9,10)5(8)7(11,12)13/h5H,1,3H2,2H3.
What are the key properties of 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene?
4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene has a molecular weight of 206.13 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6,6,6-hexafluoro-2-methylhex-1-ene is sourced from PubChem (CID 12562976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).