2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride

C5H10ClF2N — CID 146049570

IUPAC2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride
SMILESCC1(C(F)F)CC1N.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-5(4(6)7)2-3(5)8;/h3-4H,2,8H2,1H3;1H
InChIKeyBKNHGCFYZZDYPG-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds1

About 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride

2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride (PubChem CID 146049570) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride
PubChem CID146049570
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride
SMILESCC1(C(F)F)CC1N.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-5(4(6)7)2-3(5)8;/h3-4H,2,8H2,1H3;1H
InChIKeyBKNHGCFYZZDYPG-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride (CID 146049570) is 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride is CC1(C(F)F)CC1N.Cl.
What is the InChIKey of 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is BKNHGCFYZZDYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-5(4(6)7)2-3(5)8;/h3-4H,2,8H2,1H3;1H.
What are the key properties of 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride?
2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 146049570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).