1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene

C10H8ClF3O — CID 70427275

IUPAC1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
SMILESCO/C(=C\C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClF3O/c1-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-
InChIKeyZDZOJTHSSRAWIA-TWGQIWQCSA-N
MW236.62 g/mol
LogP3.89
Rot. Bonds2

About 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene

1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene (PubChem CID 70427275) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
PubChem CID70427275
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
SMILESCO/C(=C\C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClF3O/c1-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-
InChIKeyZDZOJTHSSRAWIA-TWGQIWQCSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 177387883
(E)-1-(4-chlorophenyl)-N-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]oxyethanimine
CID 172946967
[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane
CID 25242882
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
1-[(Z)-1-azido-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 122231193
1-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene
CID 157400104
4-chlorobenzoic acid;fluoromethane
CID 174932068
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
4-chloro-N-propan-2-ylbenzamide
CID 24045
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
4-chloro-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide
CID 71534605
1-(4-chlorophenyl)-2-methoxyprop-2-en-1-one
CID 18981011

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene (CID 70427275) is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene is CO/C(=C\C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?
The InChIKey is ZDZOJTHSSRAWIA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8ClF3O/c1-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-.
What are the key properties of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?
1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene has a molecular weight of 236.62 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene is sourced from PubChem (CID 70427275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).