1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene

C10H12F6 — CID 10752919

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene
SMILESFC(C(F)(F)F)C(F)(F)C1=CCCCCC1
InChIInChI=1S/C10H12F6/c11-8(10(14,15)16)9(12,13)7-5-3-1-2-4-6-7/h5,8H,1-4,6H2
InChIKeySULLCXQNOCIKMK-UHFFFAOYSA-N
MW246.19 g/mol
LogP4.41
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene

1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene (PubChem CID 10752919) has the molecular formula C10H12F6 and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene
PubChem CID10752919
Molecular FormulaC10H12F6
Molecular Weight246.19 g/mol
Exact Mass246.08
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene
SMILESFC(C(F)(F)F)C(F)(F)C1=CCCCCC1
InChIInChI=1S/C10H12F6/c11-8(10(14,15)16)9(12,13)7-5-3-1-2-4-6-7/h5,8H,1-4,6H2
InChIKeySULLCXQNOCIKMK-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 54.41
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

(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
3,3-Difluoro-1-octylcycloprop-1-ene
CID 15709092
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
1-(2,2,2-Trifluoroethyl)-1-cyclohexene
CID 69213320

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene (CID 10752919) is 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene is FC(C(F)(F)F)C(F)(F)C1=CCCCCC1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene?
The InChIKey is SULLCXQNOCIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6/c11-8(10(14,15)16)9(12,13)7-5-3-1-2-4-6-7/h5,8H,1-4,6H2.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene?
1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene has a molecular weight of 246.19 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)cycloheptene is sourced from PubChem (CID 10752919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).