(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine

C10H12F4N2O — CID 171216217

IUPAC(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H12F4N2O/c11-8-2-1-6(17-10(12,13)14)5-7(8)9(16)3-4-15/h1-2,5,9H,3-4,15-16H2/t9-/m1/s1
InChIKeyPOFRVXSRJFJYRP-SECBINFHSA-N
MW252.21 g/mol
LogP2.07
Rot. Bonds4

About (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine

(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine (PubChem CID 171216217) has the molecular formula C10H12F4N2O and a molecular weight of 252.21 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
PubChem CID171216217
Molecular FormulaC10H12F4N2O
Molecular Weight252.21 g/mol
Exact Mass252.09
IUPAC Name(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H12F4N2O/c11-8-2-1-6(17-10(12,13)14)5-7(8)9(16)3-4-15/h1-2,5,9H,3-4,15-16H2/t9-/m1/s1
InChIKeyPOFRVXSRJFJYRP-SECBINFHSA-N
XLogP2.07
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine 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

(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
CID 171216263
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171216230
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551
2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210138
3-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828896
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 171216225

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine?
The IUPAC name of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine (CID 171216217) is (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine.
What is the SMILES notation for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine?
The canonical SMILES for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine is NCC[C@@H](N)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine?
The InChIKey is POFRVXSRJFJYRP-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F4N2O/c11-8-2-1-6(17-10(12,13)14)5-7(8)9(16)3-4-15/h1-2,5,9H,3-4,15-16H2/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine?
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine has a molecular weight of 252.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine is sourced from PubChem (CID 171216217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).