1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene

C8H7F7 — CID 170408485

IUPAC1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene
SMILESCC1=C(F)CC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C8H7F7/c1-4-2-6(3-5(4)9,7(10,11)12)8(13,14)15/h2-3H2,1H3
InChIKeyANAUJAYHZRTDSY-UHFFFAOYSA-N
MW236.13 g/mol
LogP4.13
Rot. Bonds

About 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene

1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene (PubChem CID 170408485) has the molecular formula C8H7F7 and a molecular weight of 236.13 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene
PubChem CID170408485
Molecular FormulaC8H7F7
Molecular Weight236.13 g/mol
Exact Mass236.04
IUPAC Name1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene
SMILESCC1=C(F)CC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C8H7F7/c1-4-2-6(3-5(4)9,7(10,11)12)8(13,14)15/h2-3H2,1H3
InChIKeyANAUJAYHZRTDSY-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene?
The IUPAC name of 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene (CID 170408485) is 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene is CC1=C(F)CC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene?
The InChIKey is ANAUJAYHZRTDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7/c1-4-2-6(3-5(4)9,7(10,11)12)8(13,14)15/h2-3H2,1H3.
What are the key properties of 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene?
1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene has a molecular weight of 236.13 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4,4-bis(trifluoromethyl)cyclopentene is sourced from PubChem (CID 170408485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).