1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene

C11H11F3O2 — CID 91212316

IUPAC1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1OCC1CC1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)16-10-4-2-1-3-9(10)15-7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyMFRUOGMAHYDRAF-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.37
Rot. Bonds4

About 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene

1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene (PubChem CID 91212316) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
PubChem CID91212316
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1OCC1CC1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)16-10-4-2-1-3-9(10)15-7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyMFRUOGMAHYDRAF-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethoxy)-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

(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
CID 67186434
CID 67186434
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 118560462
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
1-(3-chloroprop-2-ynoxy)-2-(trifluoromethoxy)benzene
CID 68595008
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
CID 104823558

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene (CID 91212316) is 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccccc1OCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene?
The InChIKey is MFRUOGMAHYDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)16-10-4-2-1-3-9(10)15-7-8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene?
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene has a molecular weight of 232.20 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 91212316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).