1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene

C18H19Cl2F — CID 130228150

IUPAC1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene
SMILESCC(C)c1cccc(CC(C)c2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C18H19Cl2F/c1-11(2)15-6-4-5-14(18(15)21)9-12(3)13-7-8-16(19)17(20)10-13/h4-8,10-12H,9H2,1-3H3
InChIKeyLNLPSLKQROGWAP-UHFFFAOYSA-N
MW325.25 g/mol
LogP6.60
Rot. Bonds4

About 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene

1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene (PubChem CID 130228150) has the molecular formula C18H19Cl2F and a molecular weight of 325.25 g/mol. Its IUPAC name is 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene
PubChem CID130228150
Molecular FormulaC18H19Cl2F
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene
SMILESCC(C)c1cccc(CC(C)c2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C18H19Cl2F/c1-11(2)15-6-4-5-14(18(15)21)9-12(3)13-7-8-16(19)17(20)10-13/h4-8,10-12H,9H2,1-3H3
InChIKeyLNLPSLKQROGWAP-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene
CID 135127582
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
CID 170404987
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
CID 130420615
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene (CID 130228150) is 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene is CC(C)c1cccc(CC(C)c2ccc(Cl)c(Cl)c2)c1F.
What is the InChIKey of 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene?
The InChIKey is LNLPSLKQROGWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2F/c1-11(2)15-6-4-5-14(18(15)21)9-12(3)13-7-8-16(19)17(20)10-13/h4-8,10-12H,9H2,1-3H3.
What are the key properties of 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene?
1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene has a molecular weight of 325.25 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 130228150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).