1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride

C6H12ClF2N — CID 121207411

IUPAC1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride
SMILESCNCC1(C(F)F)CC1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-9-4-6(2-3-6)5(7)8;/h5,9H,2-4H2,1H3;1H
InChIKeyYGNPFBCRUIZYHX-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride

1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride (PubChem CID 121207411) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride
PubChem CID121207411
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride
SMILESCNCC1(C(F)F)CC1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-9-4-6(2-3-6)5(7)8;/h5,9H,2-4H2,1H3;1H
InChIKeyYGNPFBCRUIZYHX-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride (CID 121207411) is 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride is CNCC1(C(F)F)CC1.Cl.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride?
The InChIKey is YGNPFBCRUIZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-9-4-6(2-3-6)5(7)8;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride?
1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopropyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 121207411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).