1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene

C16H15Cl2F — CID 113460186

IUPAC1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
SMILESCC(Cc1c(F)cccc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2F/c1-11(16(18)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)19/h2-9,11,16H,10H2,1H3
InChIKeyVFLAJBHBAIWQRN-UHFFFAOYSA-N
MW297.20 g/mol
LogP5.64
Rot. Bonds4

About 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene

1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene (PubChem CID 113460186) has the molecular formula C16H15Cl2F and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
PubChem CID113460186
Molecular FormulaC16H15Cl2F
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
SMILESCC(Cc1c(F)cccc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2F/c1-11(16(18)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)19/h2-9,11,16H,10H2,1H3
InChIKeyVFLAJBHBAIWQRN-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.20
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094
1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 104846458
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene?
The IUPAC name of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene (CID 113460186) is 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene is CC(Cc1c(F)cccc1Cl)C(Cl)c1ccccc1.
What is the InChIKey of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene?
The InChIKey is VFLAJBHBAIWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F/c1-11(16(18)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)19/h2-9,11,16H,10H2,1H3.
What are the key properties of 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene?
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene has a molecular weight of 297.20 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene is sourced from PubChem (CID 113460186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).