1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene

C17H20F4O2 — CID 153282633

IUPAC1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(CC2CC2)ccc(OCCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C17H20F4O2/c18-15-13(10-12-4-5-12)6-7-14(16(15)23-17(19,20)21)22-9-8-11-2-1-3-11/h6-7,11-12H,1-5,8-10H2
InChIKeyCOJFINRSFZAPIO-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.25
Rot. Bonds7

About 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene

1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 153282633) has the molecular formula C17H20F4O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID153282633
Molecular FormulaC17H20F4O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(CC2CC2)ccc(OCCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C17H20F4O2/c18-15-13(10-12-4-5-12)6-7-14(16(15)23-17(19,20)21)22-9-8-11-2-1-3-11/h6-7,11-12H,1-5,8-10H2
InChIKeyCOJFINRSFZAPIO-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene 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

1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-cyclopentyl-4-(2-cyclopentylethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-(cyclopentylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 159603887
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
CID 153282371
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene (CID 153282633) is 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene is Fc1c(CC2CC2)ccc(OCCC2CCC2)c1OC(F)(F)F.
What is the InChIKey of 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is COJFINRSFZAPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4O2/c18-15-13(10-12-4-5-12)6-7-14(16(15)23-17(19,20)21)22-9-8-11-2-1-3-11/h6-7,11-12H,1-5,8-10H2.
What are the key properties of 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 332.34 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 153282633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).