2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene

C12H12ClF3O — CID 155024081

IUPAC2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(COC2CCC2)cc1Cl
InChIInChI=1S/C12H12ClF3O/c13-11-6-8(7-17-9-2-1-3-9)4-5-10(11)12(14,15)16/h4-6,9H,1-3,7H2
InChIKeyNTKDTKUBDMOWJW-UHFFFAOYSA-N
MW264.67 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene

2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene (PubChem CID 155024081) has the molecular formula C12H12ClF3O and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene
PubChem CID155024081
Molecular FormulaC12H12ClF3O
Molecular Weight264.67 g/mol
Exact Mass264.05
IUPAC Name2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(COC2CCC2)cc1Cl
InChIInChI=1S/C12H12ClF3O/c13-11-6-8(7-17-9-2-1-3-9)4-5-10(11)12(14,15)16/h4-6,9H,1-3,7H2
InChIKeyNTKDTKUBDMOWJW-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene (CID 155024081) is 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene is FC(F)(F)c1ccc(COC2CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene?
The InChIKey is NTKDTKUBDMOWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3O/c13-11-6-8(7-17-9-2-1-3-9)4-5-10(11)12(14,15)16/h4-6,9H,1-3,7H2.
What are the key properties of 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene?
2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene has a molecular weight of 264.67 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 155024081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).