1-chloro-2-(trifluoromethyl)cyclopentene

C6H6ClF3 — CID 162785187

IUPAC1-chloro-2-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(Cl)CCC1
InChIInChI=1S/C6H6ClF3/c7-5-3-1-2-4(5)6(8,9)10/h1-3H2
InChIKeyHQWPNTSVLIPMKB-UHFFFAOYSA-N
MW170.56 g/mol
LogP3.23
Rot. Bonds

About 1-chloro-2-(trifluoromethyl)cyclopentene

1-chloro-2-(trifluoromethyl)cyclopentene (PubChem CID 162785187) has the molecular formula C6H6ClF3 and a molecular weight of 170.56 g/mol. Its IUPAC name is 1-chloro-2-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-chloro-2-(trifluoromethyl)cyclopentene
PubChem CID162785187
Molecular FormulaC6H6ClF3
Molecular Weight170.56 g/mol
Exact Mass170.01
IUPAC Name1-chloro-2-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(Cl)CCC1
InChIInChI=1S/C6H6ClF3/c7-5-3-1-2-4(5)6(8,9)10/h1-3H2
InChIKeyHQWPNTSVLIPMKB-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(trifluoromethyl)cyclopentene?
The IUPAC name of 1-chloro-2-(trifluoromethyl)cyclopentene (CID 162785187) is 1-chloro-2-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-chloro-2-(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-chloro-2-(trifluoromethyl)cyclopentene is FC(F)(F)C1=C(Cl)CCC1.
What is the InChIKey of 1-chloro-2-(trifluoromethyl)cyclopentene?
The InChIKey is HQWPNTSVLIPMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3/c7-5-3-1-2-4(5)6(8,9)10/h1-3H2.
What are the key properties of 1-chloro-2-(trifluoromethyl)cyclopentene?
1-chloro-2-(trifluoromethyl)cyclopentene has a molecular weight of 170.56 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 162785187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).