1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene

C13H14ClF3 — CID 103303842

IUPAC1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene
SMILESCC1(C(Cl)c2cc(F)c(F)cc2F)CCCC1
InChIInChI=1S/C13H14ClF3/c1-13(4-2-3-5-13)12(14)8-6-10(16)11(17)7-9(8)15/h6-7,12H,2-5H2,1H3
InChIKeyDPVSKCQSAJIOJB-UHFFFAOYSA-N
MW262.70 g/mol
LogP4.96
Rot. Bonds2

About 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene

1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103303842) has the molecular formula C13H14ClF3 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103303842
Molecular FormulaC13H14ClF3
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene
SMILESCC1(C(Cl)c2cc(F)c(F)cc2F)CCCC1
InChIInChI=1S/C13H14ClF3/c1-13(4-2-3-5-13)12(14)8-6-10(16)11(17)7-9(8)15/h6-7,12H,2-5H2,1H3
InChIKeyDPVSKCQSAJIOJB-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene (CID 103303842) is 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene is CC1(C(Cl)c2cc(F)c(F)cc2F)CCCC1.
What is the InChIKey of 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is DPVSKCQSAJIOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3/c1-13(4-2-3-5-13)12(14)8-6-10(16)11(17)7-9(8)15/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene?
1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 262.70 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).