(2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride

C5H10ClF2N — CID 122164211

IUPAC(2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride
SMILESCC1(CN)CC1(F)F.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-4(3-8)2-5(4,6)7;/h2-3,8H2,1H3;1H
InChIKeyGBSXMANXSWVKLT-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds1

About (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride

(2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride (PubChem CID 122164211) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride
PubChem CID122164211
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name(2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride
SMILESCC1(CN)CC1(F)F.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-4(3-8)2-5(4,6)7;/h2-3,8H2,1H3;1H
InChIKeyGBSXMANXSWVKLT-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 (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride?
The IUPAC name of (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride (CID 122164211) is (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride?
The canonical SMILES for (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride is CC1(CN)CC1(F)F.Cl.
What is the InChIKey of (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride?
The InChIKey is GBSXMANXSWVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-4(3-8)2-5(4,6)7;/h2-3,8H2,1H3;1H.
What are the key properties of (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride?
(2,2-difluoro-1-methylcyclopropyl)methanamine;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 (2,2-difluoro-1-methylcyclopropyl)methanamine;hydrochloride is sourced from PubChem (CID 122164211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).