(R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C14H11ClF4N2O3 — CID 171248706

IUPAC(R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10F4N2O3.ClH/c15-11-6-3-9(7-12(11)20(21)22)13(19)8-1-4-10(5-2-8)23-14(16,17)18;/h1-7,13H,19H2;1H/t13-;/m1./s1
InChIKeyYWZWDLFVWFUUFN-BTQNPOSSSA-N
MW366.70 g/mol
LogP4.10
Rot. Bonds4

About (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171248706) has the molecular formula C14H11ClF4N2O3 and a molecular weight of 366.70 g/mol. Its IUPAC name is (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171248706
Molecular FormulaC14H11ClF4N2O3
Molecular Weight366.70 g/mol
Exact Mass366.04
IUPAC Name(R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10F4N2O3.ClH/c15-11-6-3-9(7-12(11)20(21)22)13(19)8-1-4-10(5-2-8)23-14(16,17)18;/h1-7,13H,19H2;1H/t13-;/m1./s1
InChIKeyYWZWDLFVWFUUFN-BTQNPOSSSA-N
XLogP4.10
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-(3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171245523
(S)-(4,5-dimethoxy-2-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171244129
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-nitrophenyl)ethanamine
CID 66511172
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-6-nitrophenol
CID 171251273
(1S)-1-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131625230
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
(3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-nitrophenyl)propan-1-ol;hydrochloride
CID 171248710
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-methyl-3-nitrophenol
CID 171258660
1-fluoro-2-nitro-4-(trifluoromethoxy)benzene;4-fluoro-2-nitro-1-(trifluoromethoxy)benzene
CID 161340579
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171248706) is (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is YWZWDLFVWFUUFN-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H10F4N2O3.ClH/c15-11-6-3-9(7-12(11)20(21)22)13(19)8-1-4-10(5-2-8)23-14(16,17)18;/h1-7,13H,19H2;1H/t13-;/m1./s1.
What are the key properties of (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 366.70 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluoro-3-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171248706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).