(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine

C13H15F4NO — CID 171249581

IUPAC(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
SMILESN[C@@H](c1cc(C(F)(F)F)ccc1F)C1CCOCC1
InChIInChI=1S/C13H15F4NO/c14-11-2-1-9(13(15,16)17)7-10(11)12(18)8-3-5-19-6-4-8/h1-2,7-8,12H,3-6,18H2/t12-/m1/s1
InChIKeyWIZDNEUHEOPNBF-GFCCVEGCSA-N
MW277.26 g/mol
LogP3.27
Rot. Bonds2

About (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine

(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine (PubChem CID 171249581) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
PubChem CID171249581
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
SMILESN[C@@H](c1cc(C(F)(F)F)ccc1F)C1CCOCC1
InChIInChI=1S/C13H15F4NO/c14-11-2-1-9(13(15,16)17)7-10(11)12(18)8-3-5-19-6-4-8/h1-2,7-8,12H,3-6,18H2/t12-/m1/s1
InChIKeyWIZDNEUHEOPNBF-GFCCVEGCSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine 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

(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(S)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241011
(R)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247730
(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171242729
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233

Frequently Asked Questions

What is the IUPAC name of (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
The IUPAC name of (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine (CID 171249581) is (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine is N[C@@H](c1cc(C(F)(F)F)ccc1F)C1CCOCC1.
What is the InChIKey of (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
The InChIKey is WIZDNEUHEOPNBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-11-2-1-9(13(15,16)17)7-10(11)12(18)8-3-5-19-6-4-8/h1-2,7-8,12H,3-6,18H2/t12-/m1/s1.
What are the key properties of (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine has a molecular weight of 277.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine is sourced from PubChem (CID 171249581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).