1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene

C9H9F7 — CID 170031264

IUPAC1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESCC(C)(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12/h1-3H3
InChIKeyCOVCQBDYHRPYHF-UHFFFAOYSA-N
MW250.16 g/mol
LogP4.18
Rot. Bonds

About 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene

1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene (PubChem CID 170031264) has the molecular formula C9H9F7 and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene.

Molecular Properties

Compound Name1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
PubChem CID170031264
Molecular FormulaC9H9F7
Molecular Weight250.16 g/mol
Exact Mass250.06
IUPAC Name1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESCC(C)(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12/h1-3H3
InChIKeyCOVCQBDYHRPYHF-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
1,4,5,5-Tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134879577
1-Chloro-2-t-butyl perfluorocyclopentene
CID 139243157
1-Methyl-3,3-bis(trifluoromethyl)cyclohexene
CID 84820758
1,1,1,5,5,5-Hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
CID 23440024
1,1,1,2-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene
CID 23440026
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
1,1,1,2-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene
CID 54355597
1-(2,2-Dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene
CID 59350966
5-Tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene
CID 87290036
1-Ethyl-5,5-bis(trifluoromethyl)cyclopentene
CID 89230798
4,4-Difluoro-1,2,3,3,5,5-hexamethylcyclopentene
CID 89932930

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
The IUPAC name of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene (CID 170031264) is 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene.
What is the SMILES notation for 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
The canonical SMILES for 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene is CC(C)(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
The InChIKey is COVCQBDYHRPYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12/h1-3H3.
What are the key properties of 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene has a molecular weight of 250.16 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene is sourced from PubChem (CID 170031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).