1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene

C8H7F7 — CID 172811458

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C8H7F7/c9-6(7(10,11)12,8(13,14)15)5-3-1-2-4-5/h3H,1-2,4H2
InChIKeySFQQYFFJBGDIFN-UHFFFAOYSA-N
MW236.13 g/mol
LogP3.93
Rot. Bonds1

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene (PubChem CID 172811458) has the molecular formula C8H7F7 and a molecular weight of 236.13 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
PubChem CID172811458
Molecular FormulaC8H7F7
Molecular Weight236.13 g/mol
Exact Mass236.04
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C8H7F7/c9-6(7(10,11)12,8(13,14)15)5-3-1-2-4-5/h3H,1-2,4H2
InChIKeySFQQYFFJBGDIFN-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene (CID 172811458) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene is FC(F)(F)C(F)(C1=CCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The InChIKey is SFQQYFFJBGDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7/c9-6(7(10,11)12,8(13,14)15)5-3-1-2-4-5/h3H,1-2,4H2.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene has a molecular weight of 236.13 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene is sourced from PubChem (CID 172811458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).