N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H15F4N — CID 106210182

IUPACN-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCC(NC1(C(F)(F)F)CC1)c1ccccc1F
InChIInChI=1S/C13H15F4N/c1-2-11(9-5-3-4-6-10(9)14)18-12(7-8-12)13(15,16)17/h3-6,11,18H,2,7-8H2,1H3
InChIKeySYJVEHQFBBJQMK-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210182) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210182
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC NameN-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCC(NC1(C(F)(F)F)CC1)c1ccccc1F
InChIInChI=1S/C13H15F4N/c1-2-11(9-5-3-4-6-10(9)14)18-12(7-8-12)13(15,16)17/h3-6,11,18H,2,7-8H2,1H3
InChIKeySYJVEHQFBBJQMK-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210330
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine
CID 112677047
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 99852122
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 112633052
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 115994404

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210182) is N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine is CCC(NC1(C(F)(F)F)CC1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is SYJVEHQFBBJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-2-11(9-5-3-4-6-10(9)14)18-12(7-8-12)13(15,16)17/h3-6,11,18H,2,7-8H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).