2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride

C6H12ClF2N — CID 167719820

IUPAC2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(F)(F)CNC.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-3-4-6(7,8)5-9-2;/h3,9H,1,4-5H2,2H3;1H
InChIKeyNETXQRQDIUZEDM-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.84
Rot. Bonds4

About 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride

2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride (PubChem CID 167719820) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride
PubChem CID167719820
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(F)(F)CNC.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-3-4-6(7,8)5-9-2;/h3,9H,1,4-5H2,2H3;1H
InChIKeyNETXQRQDIUZEDM-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride?
The IUPAC name of 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride (CID 167719820) is 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride is C=CCC(F)(F)CNC.Cl.
What is the InChIKey of 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride?
The InChIKey is NETXQRQDIUZEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-3-4-6(7,8)5-9-2;/h3,9H,1,4-5H2,2H3;1H.
What are the key properties of 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride?
2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylpent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 167719820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).