3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene

C10H11F7 — CID 88887882

IUPAC3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene
SMILESCC1C=CC(C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H11F7/c1-6-2-4-7(5-3-6)8(11,12)9(13,14)10(15,16)17/h2,4,6-7H,3,5H2,1H3
InChIKeyDVZSNCWLAMEOKN-UHFFFAOYSA-N
MW264.18 g/mol
LogP4.42
Rot. Bonds2

About 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene

3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene (PubChem CID 88887882) has the molecular formula C10H11F7 and a molecular weight of 264.18 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene
PubChem CID88887882
Molecular FormulaC10H11F7
Molecular Weight264.18 g/mol
Exact Mass264.07
IUPAC Name3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene
SMILESCC1C=CC(C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H11F7/c1-6-2-4-7(5-3-6)8(11,12)9(13,14)10(15,16)17/h2,4,6-7H,3,5H2,1H3
InChIKeyDVZSNCWLAMEOKN-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 54.42
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

(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
1-Fluoro-6-hexylcyclohexene
CID 134863298
[(E)-3,3-difluoroprop-1-enyl]cyclohexane
CID 134945748
8,9-Bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
CID 134964338
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
(E,8S)-8-(trifluoromethyl)tetradec-6-ene
CID 162401663
(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene
CID 162409397
[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
CID 166438808
1,3,5,6-Tetrakis(trifluoromethyl)cyclohex-1-ene
CID 550520

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene?
The IUPAC name of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene (CID 88887882) is 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene.
What is the SMILES notation for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene?
The canonical SMILES for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene is CC1C=CC(C(F)(F)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene?
The InChIKey is DVZSNCWLAMEOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7/c1-6-2-4-7(5-3-6)8(11,12)9(13,14)10(15,16)17/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene?
3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene has a molecular weight of 264.18 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methylcyclohexene is sourced from PubChem (CID 88887882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).