N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine

C8H14F3N — CID 83875723

IUPACN-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c1-6(2)12-5-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyRYVGQEQXLJEUPN-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds3

About N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 83875723) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID83875723
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N/c1-6(2)12-5-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyRYVGQEQXLJEUPN-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine (CID 83875723) is N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is RYVGQEQXLJEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)12-5-7(3-4-7)8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 83875723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).