1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene

C14H18ClF — CID 114349943

IUPAC1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1CC(C)(CCl)C1CC1
InChIInChI=1S/C14H18ClF/c1-10-7-13(16)6-3-11(10)8-14(2,9-15)12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyXBOOKIZWIFZTQR-UHFFFAOYSA-N
MW240.75 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene

1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene (PubChem CID 114349943) has the molecular formula C14H18ClF and a molecular weight of 240.75 g/mol. Its IUPAC name is 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
PubChem CID114349943
Molecular FormulaC14H18ClF
Molecular Weight240.75 g/mol
Exact Mass240.11
IUPAC Name1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1CC(C)(CCl)C1CC1
InChIInChI=1S/C14H18ClF/c1-10-7-13(16)6-3-11(10)8-14(2,9-15)12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyXBOOKIZWIFZTQR-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 54.33
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

2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene
CID 83149908
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
1-[2-(chloromethyl)-2,3-dimethylbutyl]-4-fluoro-2-methylbenzene
CID 114349945
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
CID 83150796
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148242
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
1-[2-(chloromethyl)-3,3-dimethylbutyl]-4-fluoro-2-methylbenzene
CID 114349941

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene (CID 114349943) is 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1CC(C)(CCl)C1CC1.
What is the InChIKey of 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene?
The InChIKey is XBOOKIZWIFZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF/c1-10-7-13(16)6-3-11(10)8-14(2,9-15)12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene?
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene has a molecular weight of 240.75 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 114349943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).