3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide

C6H12BrF2N — CID 23000188

IUPAC3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide
SMILESBr.NCC(F)(F)CC1CC1
InChIInChI=1S/C6H11F2N.BrH/c7-6(8,4-9)3-5-1-2-5;/h5H,1-4,9H2;1H
InChIKeyWYJKTKMKXWZCAT-UHFFFAOYSA-N
MW216.07 g/mol
LogP1.96
Rot. Bonds3

About 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide

3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide (PubChem CID 23000188) has the molecular formula C6H12BrF2N and a molecular weight of 216.07 g/mol. Its IUPAC name is 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide.

Molecular Properties

Compound Name3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide
PubChem CID23000188
Molecular FormulaC6H12BrF2N
Molecular Weight216.07 g/mol
Exact Mass215.01
IUPAC Name3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide
SMILESBr.NCC(F)(F)CC1CC1
InChIInChI=1S/C6H11F2N.BrH/c7-6(8,4-9)3-5-1-2-5;/h5H,1-4,9H2;1H
InChIKeyWYJKTKMKXWZCAT-UHFFFAOYSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide?
The IUPAC name of 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide (CID 23000188) is 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide.
What is the SMILES notation for 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide?
The canonical SMILES for 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide is Br.NCC(F)(F)CC1CC1.
What is the InChIKey of 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide?
The InChIKey is WYJKTKMKXWZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.BrH/c7-6(8,4-9)3-5-1-2-5;/h5H,1-4,9H2;1H.
What are the key properties of 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide?
3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide has a molecular weight of 216.07 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,2-difluoropropan-1-amine;hydrobromide is sourced from PubChem (CID 23000188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).