1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene

C18H18Cl3F — CID 170404987

IUPAC1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
SMILESCC(CCC(C)c1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3F/c1-11(13-5-8-16(20)17(21)9-13)3-4-12(2)15-7-6-14(19)10-18(15)22/h5-12H,3-4H2,1-2H3
InChIKeyXAWRSIQQZKONHE-UHFFFAOYSA-N
MW359.70 g/mol
LogP7.47
Rot. Bonds5

About 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene

1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene (PubChem CID 170404987) has the molecular formula C18H18Cl3F and a molecular weight of 359.70 g/mol. Its IUPAC name is 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
PubChem CID170404987
Molecular FormulaC18H18Cl3F
Molecular Weight359.70 g/mol
Exact Mass358.05
IUPAC Name1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
SMILESCC(CCC(C)c1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3F/c1-11(13-5-8-16(20)17(21)9-13)3-4-12(2)15-7-6-14(19)10-18(15)22/h5-12H,3-4H2,1-2H3
InChIKeyXAWRSIQQZKONHE-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.70
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
CID 155383409
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene
CID 138643141
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
1,2-dichloro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158586439
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene
CID 130228150
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene (CID 170404987) is 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene is CC(CCC(C)c1ccc(Cl)cc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene?
The InChIKey is XAWRSIQQZKONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3F/c1-11(13-5-8-16(20)17(21)9-13)3-4-12(2)15-7-6-14(19)10-18(15)22/h5-12H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene?
1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene has a molecular weight of 359.70 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene is sourced from PubChem (CID 170404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).