1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine

C6H5F8N — CID 129207507

IUPAC1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(F)(F)F)C(F)(F)N(C)C(F)(F)F
InChIInChI=1S/C6H5F8N/c1-3(4(7,8)9)5(10,11)15(2)6(12,13)14/h1H2,2H3
InChIKeyJNAXCESYMOJFAO-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.15
Rot. Bonds2

About 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine

1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine (PubChem CID 129207507) has the molecular formula C6H5F8N and a molecular weight of 243.10 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine
PubChem CID129207507
Molecular FormulaC6H5F8N
Molecular Weight243.10 g/mol
Exact Mass243.03
IUPAC Name1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(F)(F)F)C(F)(F)N(C)C(F)(F)F
InChIInChI=1S/C6H5F8N/c1-3(4(7,8)9)5(10,11)15(2)6(12,13)14/h1H2,2H3
InChIKeyJNAXCESYMOJFAO-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine (CID 129207507) is 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine is C=C(C(F)(F)F)C(F)(F)N(C)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is JNAXCESYMOJFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F8N/c1-3(4(7,8)9)5(10,11)15(2)6(12,13)14/h1H2,2H3.
What are the key properties of 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine?
1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 243.10 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 129207507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).