1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine

C7H13F2N — CID 84763128

IUPAC1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)C(F)(F)C1(N)CC1
InChIInChI=1S/C7H13F2N/c1-5(2)7(8,9)6(10)3-4-6/h5H,3-4,10H2,1-2H3
InChIKeyQWPKHVUZTYAFHB-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.77
Rot. Bonds2

About 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine

1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine (PubChem CID 84763128) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine
PubChem CID84763128
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)C(F)(F)C1(N)CC1
InChIInChI=1S/C7H13F2N/c1-5(2)7(8,9)6(10)3-4-6/h5H,3-4,10H2,1-2H3
InChIKeyQWPKHVUZTYAFHB-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-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 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine?
The IUPAC name of 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine (CID 84763128) is 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine is CC(C)C(F)(F)C1(N)CC1.
What is the InChIKey of 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine?
The InChIKey is QWPKHVUZTYAFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)7(8,9)6(10)3-4-6/h5H,3-4,10H2,1-2H3.
What are the key properties of 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine?
1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 84763128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).