1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride

C6H12ClF2N — CID 167728872

IUPAC1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride
SMILESCC(F)(F)C(N)C1CC1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-6(7,8)5(9)4-2-3-4;/h4-5H,2-3,9H2,1H3;1H
InChIKeyXORRHYPQENWBBF-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.80
Rot. Bonds2

About 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride

1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride (PubChem CID 167728872) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride
PubChem CID167728872
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride
SMILESCC(F)(F)C(N)C1CC1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-6(7,8)5(9)4-2-3-4;/h4-5H,2-3,9H2,1H3;1H
InChIKeyXORRHYPQENWBBF-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride?
The IUPAC name of 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride (CID 167728872) is 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride is CC(F)(F)C(N)C1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride?
The InChIKey is XORRHYPQENWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-6(7,8)5(9)4-2-3-4;/h4-5H,2-3,9H2,1H3;1H.
What are the key properties of 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride?
1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 167728872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).