4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene

C10H8ClF3 — CID 173483379

IUPAC4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
SMILESC/C=C/c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H8ClF3/c1-2-3-7-6-8(11)4-5-9(7)10(12,13)14/h2-6H,1H3/b3-2+
InChIKeyQHJCAXOPADHDJA-NSCUHMNNSA-N
MW220.62 g/mol
LogP4.39
Rot. Bonds1

About 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene

4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene (PubChem CID 173483379) has the molecular formula C10H8ClF3 and a molecular weight of 220.62 g/mol. Its IUPAC name is 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
PubChem CID173483379
Molecular FormulaC10H8ClF3
Molecular Weight220.62 g/mol
Exact Mass220.03
IUPAC Name4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
SMILESC/C=C/c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H8ClF3/c1-2-3-7-6-8(11)4-5-9(7)10(12,13)14/h2-6H,1H3/b3-2+
InChIKeyQHJCAXOPADHDJA-NSCUHMNNSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-4-(trifluoromethyl)benzene
CID 7394
3-Chlorobenzotrifluoride
CID 7374
4-Chloro-o-xylene
CID 32886
1-Chloro-2,3-dimethylbenzene
CID 32884
1-Chloro-3-ethylbenzene
CID 136426
Benzene, 1-butyl-4-chloro-
CID 524314
4-Chlorocumene
CID 17493
Benzene, 1-chloro-4-(1,1-dimethylethyl)-
CID 77594
4-Chloropentylbenzene
CID 2757748
4-Chloro-beta,beta-dimethylstyrene
CID 209164
1-Chloro-4-ethylbenzene
CID 69330
4-Chloro-alpha-methylstyrene
CID 74381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene (CID 173483379) is 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene is C/C=C/c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene?
The InChIKey is QHJCAXOPADHDJA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H8ClF3/c1-2-3-7-6-8(11)4-5-9(7)10(12,13)14/h2-6H,1H3/b3-2+.
What are the key properties of 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene?
4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene has a molecular weight of 220.62 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 173483379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).