N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine

C12H14F3N — CID 121208219

IUPACN-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
SMILESFC(F)(F)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11(10-6-7-10)16-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2
InChIKeyTYXMWYNBAXXPIO-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.12
Rot. Bonds4

About N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine

N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine (PubChem CID 121208219) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
PubChem CID121208219
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
SMILESFC(F)(F)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11(10-6-7-10)16-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2
InChIKeyTYXMWYNBAXXPIO-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-cyclopropyl-2,2-difluoroethanamine
CID 131114338
N-benzyl-4-chloro-1,1,1-trifluorobutan-2-amine
CID 121221476
N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
CID 14965865
(1R)-1-cyclopropyl-N-ethyl-2,2,2-trifluoroethanamine
CID 166734030
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
CID 104575780
N-benzyl-3,3-difluorobutan-2-amine
CID 130723597
N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
CID 11076093
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 10685271
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
CID 10591998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine (CID 121208219) is N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine is FC(F)(F)C(NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine?
The InChIKey is TYXMWYNBAXXPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)11(10-6-7-10)16-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2.
What are the key properties of N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine?
N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine has a molecular weight of 229.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 121208219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).