1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene

C9H9F7 — CID 23233433

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=CCCCC1
InChIInChI=1S/C9H9F7/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h4H,1-3,5H2
InChIKeyQBRIXMCTODUQPD-UHFFFAOYSA-N
MW250.16 g/mol
LogP4.32
Rot. Bonds2

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene

1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene (PubChem CID 23233433) has the molecular formula C9H9F7 and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
PubChem CID23233433
Molecular FormulaC9H9F7
Molecular Weight250.16 g/mol
Exact Mass250.06
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=CCCCC1
InChIInChI=1S/C9H9F7/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h4H,1-3,5H2
InChIKeyQBRIXMCTODUQPD-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
(5E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 13722135
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentadecafluorotetradec-6-ene
CID 138396311
[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-Octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-lambda2-stannane
CID 139594255
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 85293716
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 162345348
1-(Difluoromethyl)cyclohexene
CID 13431149
2-(Trifluoromethyl)cyclohexene
CID 13431162
3,3-Difluoro-1-octylcycloprop-1-ene
CID 15709092

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene (CID 23233433) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene is FC(F)(F)C(F)(F)C(F)(F)C1=CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene?
The InChIKey is QBRIXMCTODUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h4H,1-3,5H2.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene?
1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene has a molecular weight of 250.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene is sourced from PubChem (CID 23233433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).