(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene

C7H5F9 — CID 12613478

IUPAC(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene
SMILESCC(/C=C(\F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-3(2-4(8)6(11,12)13)5(9,10)7(14,15)16/h2-3H,1H3/b4-2-
InChIKeyPJKFIGXWNSIMIO-RQOWECAXSA-N
MW260.10 g/mol
LogP4.24
Rot. Bonds2

About (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene

(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene (PubChem CID 12613478) has the molecular formula C7H5F9 and a molecular weight of 260.10 g/mol. Its IUPAC name is (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene
PubChem CID12613478
Molecular FormulaC7H5F9
Molecular Weight260.10 g/mol
Exact Mass260.02
IUPAC Name(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene
SMILESCC(/C=C(\F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-3(2-4(8)6(11,12)13)5(9,10)7(14,15)16/h2-3H,1H3/b4-2-
InChIKeyPJKFIGXWNSIMIO-RQOWECAXSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-2-(trifluoromethyl)hex-2-ene
CID 640488
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hex-2-ene
CID 5372631
(E)-6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
CID 23233539
(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 57455082
2-Hexene, 6,6,6-trifluoro-5-(trifluoromethyl)-, (Z)-
CID 5364828
(Z)-1,1,1,3-tetrafluoro-2-(trifluoromethyl)hept-3-ene
CID 12635053
(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene
CID 23233541
6,6,6-Trifluoro-5-(trifluoromethyl)hex-2-ene
CID 544463
CID 588119
CID 588119
1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
CID 12412838
2-Trifluoromethyl-1,1,1-trifluoro-2-pentene
CID 13843996
1,1,1,4,4-Pentafluoro-2-(trifluoromethyl)-2-pentene
CID 15489697

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene?
The IUPAC name of (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene (CID 12613478) is (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene.
What is the SMILES notation for (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene?
The canonical SMILES for (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene is CC(/C=C(\F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene?
The InChIKey is PJKFIGXWNSIMIO-RQOWECAXSA-N. The full InChI is InChI=1S/C7H5F9/c1-3(2-4(8)6(11,12)13)5(9,10)7(14,15)16/h2-3H,1H3/b4-2-.
What are the key properties of (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene?
(Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene has a molecular weight of 260.10 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methylhex-2-ene is sourced from PubChem (CID 12613478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).