1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene

C12H10ClF3 — CID 65176048

IUPAC1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C2=CC(Cl)CC2)c1
InChIInChI=1S/C12H10ClF3/c13-11-5-4-9(7-11)8-2-1-3-10(6-8)12(14,15)16/h1-3,6-7,11H,4-5H2
InChIKeyBVCQUQMFGAEHDU-UHFFFAOYSA-N
MW246.66 g/mol
LogP4.49
Rot. Bonds1

About 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene

1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene (PubChem CID 65176048) has the molecular formula C12H10ClF3 and a molecular weight of 246.66 g/mol. Its IUPAC name is 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene
PubChem CID65176048
Molecular FormulaC12H10ClF3
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C2=CC(Cl)CC2)c1
InChIInChI=1S/C12H10ClF3/c13-11-5-4-9(7-11)8-2-1-3-10(6-8)12(14,15)16/h1-3,6-7,11H,4-5H2
InChIKeyBVCQUQMFGAEHDU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 54.49
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

4-(3-chlorocyclohexen-1-yl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290349
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1-chloro-2-[3-(trifluoromethyl)phenyl]cycloheptane
CID 63510947
(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402726
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397813
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
bis[3-(trifluoromethyl)phenyl]iodanium tetrafluoroborate
CID 155979684
1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
CID 65174957

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene (CID 65176048) is 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(C2=CC(Cl)CC2)c1.
What is the InChIKey of 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene?
The InChIKey is BVCQUQMFGAEHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3/c13-11-5-4-9(7-11)8-2-1-3-10(6-8)12(14,15)16/h1-3,6-7,11H,4-5H2.
What are the key properties of 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene?
1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene has a molecular weight of 246.66 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopenten-1-yl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 65176048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).