1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene

C10H8ClF3 — CID 53441843

IUPAC1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C=CCCl)c1
InChIInChI=1S/C10H8ClF3/c11-6-2-4-8-3-1-5-9(7-8)10(12,13)14/h1-5,7H,6H2
InChIKeyYUGQKBOSSRZHJN-UHFFFAOYSA-N
MW220.62 g/mol
LogP3.96
Rot. Bonds2

About 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene

1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene (PubChem CID 53441843) has the molecular formula C10H8ClF3 and a molecular weight of 220.62 g/mol. Its IUPAC name is 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
PubChem CID53441843
Molecular FormulaC10H8ClF3
Molecular Weight220.62 g/mol
Exact Mass220.03
IUPAC Name1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C=CCCl)c1
InChIInChI=1S/C10H8ClF3/c11-6-2-4-8-3-1-5-9(7-8)10(12,13)14/h1-5,7H,6H2
InChIKeyYUGQKBOSSRZHJN-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 53.96
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

1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 71608776
3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine
CID 169477673
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79599160
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene (CID 53441843) is 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(C=CCCl)c1.
What is the InChIKey of 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene?
The InChIKey is YUGQKBOSSRZHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3/c11-6-2-4-8-3-1-5-9(7-8)10(12,13)14/h1-5,7H,6H2.
What are the key properties of 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene?
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene has a molecular weight of 220.62 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 53441843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).