2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C10H18F3N — CID 155356695

IUPAC2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC(C)C(CNCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N/c1-7(2)9(8-3-4-8)5-14-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyUOBKCKRXOYKFNQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.82
Rot. Bonds5

About 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 155356695) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID155356695
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC(C)C(CNCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N/c1-7(2)9(8-3-4-8)5-14-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyUOBKCKRXOYKFNQ-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 155356695) is 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is CC(C)C(CNCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is UOBKCKRXOYKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7(2)9(8-3-4-8)5-14-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 155356695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).