1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene

C13H15Cl2F — CID 107893302

IUPAC1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
SMILESCC(CCl)(Cc1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C13H15Cl2F/c1-13(8-14,10-3-4-10)7-9-2-5-11(15)12(16)6-9/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyLWNNZLAFDCCYFX-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.68
Rot. Bonds4

About 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene

1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene (PubChem CID 107893302) has the molecular formula C13H15Cl2F and a molecular weight of 261.17 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
PubChem CID107893302
Molecular FormulaC13H15Cl2F
Molecular Weight261.17 g/mol
Exact Mass260.05
IUPAC Name1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
SMILESCC(CCl)(Cc1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C13H15Cl2F/c1-13(8-14,10-3-4-10)7-9-2-5-11(15)12(16)6-9/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyLWNNZLAFDCCYFX-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.68
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-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 107883030
N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 103041178
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
[4-tert-butyl-2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 107889301
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 114349943
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883412
2-[(4-chloro-3-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 107889838
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)cyclohexyl]phenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344076
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene (CID 107893302) is 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene is CC(CCl)(Cc1ccc(Cl)c(F)c1)C1CC1.
What is the InChIKey of 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene?
The InChIKey is LWNNZLAFDCCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F/c1-13(8-14,10-3-4-10)7-9-2-5-11(15)12(16)6-9/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene?
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene has a molecular weight of 261.17 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene is sourced from PubChem (CID 107893302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).