N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine

C18H18F4N2O — CID 28664863

IUPACN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESFc1ccc([C@@]2(CNCc3ccc(C(F)(F)F)nc3)CCOC2)cc1
InChIInChI=1S/C18H18F4N2O/c19-15-4-2-14(3-5-15)17(7-8-25-12-17)11-23-9-13-1-6-16(24-10-13)18(20,21)22/h1-6,10,23H,7-9,11-12H2/t17-/m1/s1
InChIKeyKOONPNOBCRILOH-QGZVFWFLSA-N
MW354.35 g/mol
LogP3.69
Rot. Bonds5

About N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine

N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 28664863) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID28664863
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC NameN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESFc1ccc([C@@]2(CNCc3ccc(C(F)(F)F)nc3)CCOC2)cc1
InChIInChI=1S/C18H18F4N2O/c19-15-4-2-14(3-5-15)17(7-8-25-12-17)11-23-9-13-1-6-16(24-10-13)18(20,21)22/h1-6,10,23H,7-9,11-12H2/t17-/m1/s1
InChIKeyKOONPNOBCRILOH-QGZVFWFLSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 28664863) is N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine is Fc1ccc([C@@]2(CNCc3ccc(C(F)(F)F)nc3)CCOC2)cc1.
What is the InChIKey of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is KOONPNOBCRILOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18F4N2O/c19-15-4-2-14(3-5-15)17(7-8-25-12-17)11-23-9-13-1-6-16(24-10-13)18(20,21)22/h1-6,10,23H,7-9,11-12H2/t17-/m1/s1.
What are the key properties of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine?
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 354.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 28664863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).