2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

C15H17F4NO — CID 103923929

IUPAC2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESFc1ccc(CNC2CCOC2C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F4NO/c16-11-4-3-10(12(7-11)15(17,18)19)8-20-13-5-6-21-14(13)9-1-2-9/h3-4,7,9,13-14,20H,1-2,5-6,8H2
InChIKeyYJWBUECVPHGUKV-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.50
Rot. Bonds4

About 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (PubChem CID 103923929) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
PubChem CID103923929
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESFc1ccc(CNC2CCOC2C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F4NO/c16-11-4-3-10(12(7-11)15(17,18)19)8-20-13-5-6-21-14(13)9-1-2-9/h3-4,7,9,13-14,20H,1-2,5-6,8H2
InChIKeyYJWBUECVPHGUKV-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine 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-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 114118996
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(oxan-2-yl)methanamine
CID 112731312
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 103580964
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 112732481
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
2-[(2-cyclopropyloxolan-3-yl)amino]-1-(4-fluorophenyl)ethanol
CID 103580825
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxolan-3-amine
CID 103864396
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580888

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (CID 103923929) is 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is Fc1ccc(CNC2CCOC2C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The InChIKey is YJWBUECVPHGUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c16-11-4-3-10(12(7-11)15(17,18)19)8-20-13-5-6-21-14(13)9-1-2-9/h3-4,7,9,13-14,20H,1-2,5-6,8H2.
What are the key properties of 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine has a molecular weight of 303.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 103923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).