1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene

C14H16ClF3 — CID 66034453

IUPAC1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(CC2(CCl)CCCC2)c1
InChIInChI=1S/C14H16ClF3/c15-10-13(6-1-2-7-13)9-11-4-3-5-12(8-11)14(16,17)18/h3-5,8H,1-2,6-7,9-10H2
InChIKeyVUVULQDCDDIGMU-UHFFFAOYSA-N
MW276.73 g/mol
LogP5.05
Rot. Bonds3

About 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene

1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene (PubChem CID 66034453) has the molecular formula C14H16ClF3 and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
PubChem CID66034453
Molecular FormulaC14H16ClF3
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(CC2(CCl)CCCC2)c1
InChIInChI=1S/C14H16ClF3/c15-10-13(6-1-2-7-13)9-11-4-3-5-12(8-11)14(16,17)18/h3-5,8H,1-2,6-7,9-10H2
InChIKeyVUVULQDCDDIGMU-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.73
LogP ≤ 55.05
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

N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
CID 66035096
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65149544
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
CID 83173473
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene (CID 66034453) is 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(CC2(CCl)CCCC2)c1.
What is the InChIKey of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene?
The InChIKey is VUVULQDCDDIGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3/c15-10-13(6-1-2-7-13)9-11-4-3-5-12(8-11)14(16,17)18/h3-5,8H,1-2,6-7,9-10H2.
What are the key properties of 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene?
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene has a molecular weight of 276.73 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 66034453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).