2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene

C12H13BrClF — CID 106798672

IUPAC2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
SMILESCC(Br)C1(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H13BrClF/c1-8(13)12(4-5-12)7-9-6-10(14)2-3-11(9)15/h2-3,6,8H,4-5,7H2,1H3
InChIKeyWCVVDISCSUPLSO-UHFFFAOYSA-N
MW291.59 g/mol
LogP4.59
Rot. Bonds3

About 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene

2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene (PubChem CID 106798672) has the molecular formula C12H13BrClF and a molecular weight of 291.59 g/mol. Its IUPAC name is 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene.

Molecular Properties

Compound Name2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
PubChem CID106798672
Molecular FormulaC12H13BrClF
Molecular Weight291.59 g/mol
Exact Mass289.99
IUPAC Name2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
SMILESCC(Br)C1(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H13BrClF/c1-8(13)12(4-5-12)7-9-6-10(14)2-3-11(9)15/h2-3,6,8H,4-5,7H2,1H3
InChIKeyWCVVDISCSUPLSO-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.59
LogP ≤ 54.59
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

4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 106798566
4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 106798665
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
CID 103052130
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 106798312
1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 103047881
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797533
[2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 103053662
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine
CID 79451244
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene?
The IUPAC name of 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene (CID 106798672) is 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene.
What is the SMILES notation for 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene?
The canonical SMILES for 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene is CC(Br)C1(Cc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene?
The InChIKey is WCVVDISCSUPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClF/c1-8(13)12(4-5-12)7-9-6-10(14)2-3-11(9)15/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene?
2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene has a molecular weight of 291.59 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene is sourced from PubChem (CID 106798672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).