(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine

C5H9F2N — CID 126720227

IUPAC(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine
SMILESC/C=C\N(C)C(F)F
InChIInChI=1S/C5H9F2N/c1-3-4-8(2)5(6)7/h3-5H,1-2H3/b4-3-
InChIKeyZNOYMDSCNPYESW-ARJAWSKDSA-N
MW121.13 g/mol
LogP1.67
Rot. Bonds2

About (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine

(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine (PubChem CID 126720227) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine
PubChem CID126720227
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine
SMILESC/C=C\N(C)C(F)F
InChIInChI=1S/C5H9F2N/c1-3-4-8(2)5(6)7/h3-5H,1-2H3/b4-3-
InChIKeyZNOYMDSCNPYESW-ARJAWSKDSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine?
The IUPAC name of (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine (CID 126720227) is (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine is C/C=C\N(C)C(F)F.
What is the InChIKey of (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine?
The InChIKey is ZNOYMDSCNPYESW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9F2N/c1-3-4-8(2)5(6)7/h3-5H,1-2H3/b4-3-.
What are the key properties of (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine?
(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine is sourced from PubChem (CID 126720227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).