3-chloro-1,2,3-trifluorocyclopentene

C5H4ClF3 — CID 141084746

IUPAC3-chloro-1,2,3-trifluorocyclopentene
SMILESFC1=C(F)C(F)(Cl)CC1
InChIInChI=1S/C5H4ClF3/c6-5(9)2-1-3(7)4(5)8/h1-2H2
InChIKeyMHMDFYBPCMMPQP-UHFFFAOYSA-N
MW156.53 g/mol
LogP2.84
Rot. Bonds

About 3-chloro-1,2,3-trifluorocyclopentene

3-chloro-1,2,3-trifluorocyclopentene (PubChem CID 141084746) has the molecular formula C5H4ClF3 and a molecular weight of 156.53 g/mol. Its IUPAC name is 3-chloro-1,2,3-trifluorocyclopentene.

Molecular Properties

Compound Name3-chloro-1,2,3-trifluorocyclopentene
PubChem CID141084746
Molecular FormulaC5H4ClF3
Molecular Weight156.53 g/mol
Exact Mass156.00
IUPAC Name3-chloro-1,2,3-trifluorocyclopentene
SMILESFC1=C(F)C(F)(Cl)CC1
InChIInChI=1S/C5H4ClF3/c6-5(9)2-1-3(7)4(5)8/h1-2H2
InChIKeyMHMDFYBPCMMPQP-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chlorotrifluorocyclohexene
CID 146018383
1-Chloro-2,3,3,4,4-pentafluorocyclopentene
CID 12909411
1,2-Dichloro-3,3,4,4-tetrafluorocyclopentene
CID 22011454
1,2-Dichloro-3,3,4,4,5-pentafluorocyclopentene
CID 22011460
1-Chloro-2-fluorocyclopentene
CID 22492634
1-Chloro-2,3,3,4,4,5-hexafluorocyclopentene
CID 22492635
1-Chloro-2,3,3,5,5-pentafluorocyclopentene
CID 139906493
1-Chloro-2,3,3,4,5,5-hexafluorocyclopentene
CID 139906497
4-Chloro-1,2,3,3,4-pentafluorocyclopentene
CID 141007316
1-Chloro-2,3,3,4,5-pentafluorocyclopentene
CID 154944476
1,2-Dichloro-3,3,5,5-tetrafluorocyclopentene
CID 161234081
1-Chloro-2-(trifluoromethyl)cyclopentene
CID 162785187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,3-trifluorocyclopentene?
The IUPAC name of 3-chloro-1,2,3-trifluorocyclopentene (CID 141084746) is 3-chloro-1,2,3-trifluorocyclopentene.
What is the SMILES notation for 3-chloro-1,2,3-trifluorocyclopentene?
The canonical SMILES for 3-chloro-1,2,3-trifluorocyclopentene is FC1=C(F)C(F)(Cl)CC1.
What is the InChIKey of 3-chloro-1,2,3-trifluorocyclopentene?
The InChIKey is MHMDFYBPCMMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3/c6-5(9)2-1-3(7)4(5)8/h1-2H2.
What are the key properties of 3-chloro-1,2,3-trifluorocyclopentene?
3-chloro-1,2,3-trifluorocyclopentene has a molecular weight of 156.53 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,3-trifluorocyclopentene is sourced from PubChem (CID 141084746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).