[1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride

C6H12ClF2N — CID 126843987

IUPAC[1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(CC(F)F)CC1
InChIInChI=1S/C6H11F2N.ClH/c7-5(8)3-6(4-9)1-2-6;/h5H,1-4,9H2;1H
InChIKeyIWJWIBLOBIKZQD-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.80
Rot. Bonds3

About [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride

[1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 126843987) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride
PubChem CID126843987
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name[1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(CC(F)F)CC1
InChIInChI=1S/C6H11F2N.ClH/c7-5(8)3-6(4-9)1-2-6;/h5H,1-4,9H2;1H
InChIKeyIWJWIBLOBIKZQD-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride (CID 126843987) is [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1(CC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is IWJWIBLOBIKZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-5(8)3-6(4-9)1-2-6;/h5H,1-4,9H2;1H.
What are the key properties of [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride?
[1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 126843987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).