[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane

C13H20F4 — CID 11747114

IUPAC[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
SMILESCCCC/C(=C(\F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H20F4/c1-2-3-9-11(12(14)13(15,16)17)10-7-5-4-6-8-10/h10H,2-9H2,1H3/b12-11+
InChIKeyFHAWFOBBNCYKCW-VAWYXSNFSA-N
MW252.29 g/mol
LogP5.54
Rot. Bonds4

About [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane

[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane (PubChem CID 11747114) has the molecular formula C13H20F4 and a molecular weight of 252.29 g/mol. Its IUPAC name is [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
PubChem CID11747114
Molecular FormulaC13H20F4
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
SMILESCCCC/C(=C(\F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H20F4/c1-2-3-9-11(12(14)13(15,16)17)10-7-5-4-6-8-10/h10H,2-9H2,1H3/b12-11+
InChIKeyFHAWFOBBNCYKCW-VAWYXSNFSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.29
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-Pentafluoro-1-propenyl]cyclohexane
CID 10751111
1,4,5,5,6,6-Hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene
CID 589036
cis-(1S,3R)-1,3-bis[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexane
CID 10807360
(Z)-1,1,1,2-Tetrafluoro-3-cyclopentyl-2-heptene
CID 15497040
1-Tert-butyl-4-(1-fluoroethylidene)cyclohexane
CID 11355891
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
CID 19371850
1-Methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene
CID 20578461
1,1,1,4-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-2-ene
CID 23440027
1-Ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
CID 56630849
1-Methyl-4-(1,1,1-trifluoroheptan-4-yl)cyclohexene
CID 57228493
1-Propan-2-yl-4-(trifluoromethyl)cyclohexene
CID 58270178
4-(5,5-Difluorohexyl)-1-fluorocyclohexene
CID 58329747

Frequently Asked Questions

What is the IUPAC name of [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane?
The IUPAC name of [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane (CID 11747114) is [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane.
What is the SMILES notation for [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane?
The canonical SMILES for [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane is CCCC/C(=C(\F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane?
The InChIKey is FHAWFOBBNCYKCW-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H20F4/c1-2-3-9-11(12(14)13(15,16)17)10-7-5-4-6-8-10/h10H,2-9H2,1H3/b12-11+.
What are the key properties of [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane?
[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane has a molecular weight of 252.29 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane is sourced from PubChem (CID 11747114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).