N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine

C8H16FN — CID 91247394

IUPACN-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine
SMILESC=C(F)N(C(C)C)C(C)C
InChIInChI=1S/C8H16FN/c1-6(2)10(7(3)4)8(5)9/h6-7H,5H2,1-4H3
InChIKeyNTIYHVYCHZBTFT-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.55
Rot. Bonds3

About N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine

N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine (PubChem CID 91247394) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine
PubChem CID91247394
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine
SMILESC=C(F)N(C(C)C)C(C)C
InChIInChI=1S/C8H16FN/c1-6(2)10(7(3)4)8(5)9/h6-7H,5H2,1-4H3
InChIKeyNTIYHVYCHZBTFT-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-fluoroethenyl)-N-propan-2-ylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine (CID 91247394) is N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine is C=C(F)N(C(C)C)C(C)C.
What is the InChIKey of N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is NTIYHVYCHZBTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)10(7(3)4)8(5)9/h6-7H,5H2,1-4H3.
What are the key properties of N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine?
N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethenyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 91247394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).