N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine

C11H18F3N — CID 115895688

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCC1(C2CC2)CC1
InChIInChI=1S/C11H18F3N/c1-8(6-11(12,13)14)15-7-10(4-5-10)9-2-3-9/h8-9,15H,2-7H2,1H3
InChIKeyGQDLZXUULGFARP-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.11
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine

N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 115895688) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID115895688
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCC1(C2CC2)CC1
InChIInChI=1S/C11H18F3N/c1-8(6-11(12,13)14)15-7-10(4-5-10)9-2-3-9/h8-9,15H,2-7H2,1H3
InChIKeyGQDLZXUULGFARP-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine (CID 115895688) is N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NCC1(C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is GQDLZXUULGFARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8(6-11(12,13)14)15-7-10(4-5-10)9-2-3-9/h8-9,15H,2-7H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 115895688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).