1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene

C13H14ClF3 — CID 66035096

IUPAC1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2(CCl)CCC2)cc1
InChIInChI=1S/C13H14ClF3/c14-9-12(6-1-7-12)8-10-2-4-11(5-3-10)13(15,16)17/h2-5H,1,6-9H2
InChIKeySHIJHYQPKCEXMA-UHFFFAOYSA-N
MW262.70 g/mol
LogP4.66
Rot. Bonds3

About 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene

1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene (PubChem CID 66035096) has the molecular formula C13H14ClF3 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
PubChem CID66035096
Molecular FormulaC13H14ClF3
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2(CCl)CCC2)cc1
InChIInChI=1S/C13H14ClF3/c14-9-12(6-1-7-12)8-10-2-4-11(5-3-10)13(15,16)17/h2-5H,1,6-9H2
InChIKeySHIJHYQPKCEXMA-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 54.66
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-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 62725893
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)benzene
CID 66050201
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
CID 115455854
2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one
CID 86210946
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
[1,1-dioxo-3-[[4-(trifluoromethyl)phenyl]methyl]thiolan-3-yl]methanamine
CID 78992078
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
(3S)-3-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 89317969
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene (CID 66035096) is 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(CC2(CCl)CCC2)cc1.
What is the InChIKey of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene?
The InChIKey is SHIJHYQPKCEXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3/c14-9-12(6-1-7-12)8-10-2-4-11(5-3-10)13(15,16)17/h2-5H,1,6-9H2.
What are the key properties of 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene?
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene has a molecular weight of 262.70 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 66035096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).