1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C18H10Cl4F6 — CID 161498560

IUPAC1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F.C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/2C9H5Cl2F3/c2*1-5(9(12,13)14)6-2-7(10)4-8(11)3-6/h2*2-4H,1H2
InChIKeyWGNPMVWBQZUIKK-UHFFFAOYSA-N
MW482.08 g/mol
LogP9.14
Rot. Bonds2

About 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene (PubChem CID 161498560) has the molecular formula C18H10Cl4F6 and a molecular weight of 482.08 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
PubChem CID161498560
Molecular FormulaC18H10Cl4F6
Molecular Weight482.08 g/mol
Exact Mass479.94
IUPAC Name1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F.C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/2C9H5Cl2F3/c2*1-5(9(12,13)14)6-2-7(10)4-8(11)3-6/h2*2-4H,1H2
InChIKeyWGNPMVWBQZUIKK-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.08
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-5-(3,3,4,4,4-pentafluorobut-1-en-2-yl)benzene
CID 86685056
2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
CID 86664620
2-[3-chloro-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 159257420
1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 67427586
1,3-dichloro-2-fluoro-5-iodobenzene;1,3-dichloro-2-fluoro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 157121631
N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine
CID 168864510
1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 150115521
1,3-dichloro-5-[3,3-difluoro-3-(3-methylphenoxy)prop-1-en-2-yl]benzene
CID 175270967
3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enal
CID 154069384
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
1-iodo-3-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 162348211

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene (CID 161498560) is 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene is C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F.C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The InChIKey is WGNPMVWBQZUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5Cl2F3/c2*1-5(9(12,13)14)6-2-7(10)4-8(11)3-6/h2*2-4H,1H2.
What are the key properties of 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene has a molecular weight of 482.08 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 161498560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).