1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene

C16H14Cl3F — CID 79453067

IUPAC1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
SMILESFc1ccccc1CC(CCl)(CCl)c1ccccc1Cl
InChIInChI=1S/C16H14Cl3F/c17-10-16(11-18,13-6-2-3-7-14(13)19)9-12-5-1-4-8-15(12)20/h1-8H,9-11H2
InChIKeyWYYOEHZQDFULAP-UHFFFAOYSA-N
MW331.64 g/mol
LogP5.44
Rot. Bonds5

About 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene

1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene (PubChem CID 79453067) has the molecular formula C16H14Cl3F and a molecular weight of 331.64 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
PubChem CID79453067
Molecular FormulaC16H14Cl3F
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
SMILESFc1ccccc1CC(CCl)(CCl)c1ccccc1Cl
InChIInChI=1S/C16H14Cl3F/c17-10-16(11-18,13-6-2-3-7-14(13)19)9-12-5-1-4-8-15(12)20/h1-8H,9-11H2
InChIKeyWYYOEHZQDFULAP-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.64
LogP ≤ 55.44
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-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
CID 79444471
1-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864007
2-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
CID 106870780
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
1-chloro-2-[1-chloro-2-(chloromethyl)-5,5-dimethylhexan-2-yl]benzene
CID 79453577
1-chloro-2-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]benzene
CID 103985311
1-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-2-methoxybenzene
CID 79446634

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene?
The IUPAC name of 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene (CID 79453067) is 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene?
The canonical SMILES for 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene is Fc1ccccc1CC(CCl)(CCl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene?
The InChIKey is WYYOEHZQDFULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3F/c17-10-16(11-18,13-6-2-3-7-14(13)19)9-12-5-1-4-8-15(12)20/h1-8H,9-11H2.
What are the key properties of 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene?
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene has a molecular weight of 331.64 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene is sourced from PubChem (CID 79453067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).