1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine

C4H4F5N — CID 130418437

IUPAC1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine
SMILESCNC(=C(F)F)C(F)(F)F
InChIInChI=1S/C4H4F5N/c1-10-2(3(5)6)4(7,8)9/h10H,1H3
InChIKeyQATMKOVXUVDFJO-UHFFFAOYSA-N
MW161.07 g/mol
LogP1.88
Rot. Bonds1

About 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine

1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine (PubChem CID 130418437) has the molecular formula C4H4F5N and a molecular weight of 161.07 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine
PubChem CID130418437
Molecular FormulaC4H4F5N
Molecular Weight161.07 g/mol
Exact Mass161.03
IUPAC Name1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine
SMILESCNC(=C(F)F)C(F)(F)F
InChIInChI=1S/C4H4F5N/c1-10-2(3(5)6)4(7,8)9/h10H,1H3
InChIKeyQATMKOVXUVDFJO-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,3,3,3-heptafluoro-N-methylpropan-2-amine
CID 90983373
3,3,3-trifluoro-N-methylprop-1-en-2-amine
CID 129272081
(Z)-1,3,3,3-tetrafluoro-N-methylprop-1-en-2-amine
CID 130418378
(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine
CID 130418460
1,1-difluoro-N-methylprop-1-en-2-amine
CID 132032621
(Z)-1,1,1,4,4,4-hexafluoro-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 156143436
(E)-1,1,1,3-tetrafluoro-N-methylbut-2-en-2-amine
CID 170067381
1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine
CID 174959511

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine?
The IUPAC name of 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine (CID 130418437) is 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine.
What is the SMILES notation for 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine?
The canonical SMILES for 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine is CNC(=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine?
The InChIKey is QATMKOVXUVDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5N/c1-10-2(3(5)6)4(7,8)9/h10H,1H3.
What are the key properties of 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine?
1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine has a molecular weight of 161.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoro-N-methylprop-1-en-2-amine is sourced from PubChem (CID 130418437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).