N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H15F4NO — CID 115282910

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFc1cc(CNC2CC3CCC2O3)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F4NO/c15-10-4-8(3-9(5-10)14(16,17)18)7-19-12-6-11-1-2-13(12)20-11/h3-5,11-13,19H,1-2,6-7H2
InChIKeyFCRPDVZBNCXFPY-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.25
Rot. Bonds3

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 115282910) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID115282910
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFc1cc(CNC2CC3CCC2O3)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F4NO/c15-10-4-8(3-9(5-10)14(16,17)18)7-19-12-6-11-1-2-13(12)20-11/h3-5,11-13,19H,1-2,6-7H2
InChIKeyFCRPDVZBNCXFPY-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4,5-trifluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602479
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 115350227
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80714508
N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602681
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715688
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
4-fluoro-3-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoic acid
CID 107453125
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601705
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957131
N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601425

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 115282910) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Fc1cc(CNC2CC3CCC2O3)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is FCRPDVZBNCXFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c15-10-4-8(3-9(5-10)14(16,17)18)7-19-12-6-11-1-2-13(12)20-11/h3-5,11-13,19H,1-2,6-7H2.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 289.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115282910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).