(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine

C12H14F3NO — CID 171248262

IUPAC(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
SMILESN[C@@H](c1ccc(F)c(F)c1F)C1CCOCC1
InChIInChI=1S/C12H14F3NO/c13-9-2-1-8(10(14)11(9)15)12(16)7-3-5-17-6-4-7/h1-2,7,12H,3-6,16H2/t12-/m1/s1
InChIKeyMPMSXXZNIDWWGW-GFCCVEGCSA-N
MW245.24 g/mol
LogP2.53
Rot. Bonds2

About (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine

(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine (PubChem CID 171248262) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
PubChem CID171248262
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
SMILESN[C@@H](c1ccc(F)c(F)c1F)C1CCOCC1
InChIInChI=1S/C12H14F3NO/c13-9-2-1-8(10(14)11(9)15)12(16)7-3-5-17-6-4-7/h1-2,7,12H,3-6,16H2/t12-/m1/s1
InChIKeyMPMSXXZNIDWWGW-GFCCVEGCSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (R)-oxan-4-yl-(2,3,4-trifluorophenyl)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

(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(S)-(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239339
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(S)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241011

Frequently Asked Questions

What is the IUPAC name of (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine (CID 171248262) is (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine is N[C@@H](c1ccc(F)c(F)c1F)C1CCOCC1.
What is the InChIKey of (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is MPMSXXZNIDWWGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-9-2-1-8(10(14)11(9)15)12(16)7-3-5-17-6-4-7/h1-2,7,12H,3-6,16H2/t12-/m1/s1.
What are the key properties of (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine?
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 245.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 171248262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).