2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane

C15H17ClF4O — CID 18332046

IUPAC2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane
SMILESCCCC1CCC(c2cc(F)c(C(F)(F)F)c(Cl)c2)OC1
InChIInChI=1S/C15H17ClF4O/c1-2-3-9-4-5-13(21-8-9)10-6-11(16)14(12(17)7-10)15(18,19)20/h6-7,9,13H,2-5,8H2,1H3
InChIKeyFQOKUAMPGPIOEJ-UHFFFAOYSA-N
MW324.75 g/mol
LogP5.77
Rot. Bonds3

About 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane

2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane (PubChem CID 18332046) has the molecular formula C15H17ClF4O and a molecular weight of 324.75 g/mol. Its IUPAC name is 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane.

Molecular Properties

Compound Name2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane
PubChem CID18332046
Molecular FormulaC15H17ClF4O
Molecular Weight324.75 g/mol
Exact Mass324.09
IUPAC Name2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane
SMILESCCCC1CCC(c2cc(F)c(C(F)(F)F)c(Cl)c2)OC1
InChIInChI=1S/C15H17ClF4O/c1-2-3-9-4-5-13(21-8-9)10-6-11(16)14(12(17)7-10)15(18,19)20/h6-7,9,13H,2-5,8H2,1H3
InChIKeyFQOKUAMPGPIOEJ-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.75
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-6-fluorobenzyl alcohol, isopropyl ether
CID 91718298
2-Chloro-6-fluorobenzyl alcohol, 1-methylpropyl ether
CID 91718299
2-Chloro-6-fluorobenzyl alcohol, 2-methylbutyl ether
CID 91718297
rac-(2R,3R)-3-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)oxane
CID 119031814
(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane
CID 139125286
1-Butyl-2-chloro-4-(trifluoromethoxymethyl)benzene
CID 176438164
1-Chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
CID 15058794
1-Chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene
CID 15058795
1-Chloro-3-fluoro-5-(4-propoxycyclohexyl)-2-(trifluoromethyl)benzene
CID 15538324
6-(3-Chloro-5-fluoro-4-trifluoromethylphenyl)-3-propyltetrahydro-2-pyrone
CID 18332047
4-[[4-(4-But-3-enylcyclohexyl)cyclohexyl]oxymethyl]-2-chloro-1-fluorobenzene
CID 19380363
2-Chloro-1-fluoro-4-[[4-(4-pent-4-enylcyclohexyl)cyclohexyl]oxymethyl]benzene
CID 19380546

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane?
The IUPAC name of 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane (CID 18332046) is 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane.
What is the SMILES notation for 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane?
The canonical SMILES for 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane is CCCC1CCC(c2cc(F)c(C(F)(F)F)c(Cl)c2)OC1.
What is the InChIKey of 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane?
The InChIKey is FQOKUAMPGPIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF4O/c1-2-3-9-4-5-13(21-8-9)10-6-11(16)14(12(17)7-10)15(18,19)20/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane?
2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane has a molecular weight of 324.75 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]-5-propyloxane is sourced from PubChem (CID 18332046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).