N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine

C13H15F4NO — CID 102747392

IUPACN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
SMILESCC(CNC1CC1)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO/c1-8(7-18-9-2-3-9)19-10-4-5-12(14)11(6-10)13(15,16)17/h4-6,8-9,18H,2-3,7H2,1H3
InChIKeyPCTKUJROFWZKEH-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.36
Rot. Bonds5

About N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine

N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine (PubChem CID 102747392) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
PubChem CID102747392
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC NameN-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
SMILESCC(CNC1CC1)Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO/c1-8(7-18-9-2-3-9)19-10-4-5-12(14)11(6-10)13(15,16)17/h4-6,8-9,18H,2-3,7H2,1H3
InChIKeyPCTKUJROFWZKEH-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030929
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine (CID 102747392) is N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine is CC(CNC1CC1)Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine?
The InChIKey is PCTKUJROFWZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-8(7-18-9-2-3-9)19-10-4-5-12(14)11(6-10)13(15,16)17/h4-6,8-9,18H,2-3,7H2,1H3.
What are the key properties of N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine?
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine has a molecular weight of 277.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine is sourced from PubChem (CID 102747392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).