3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline

C16H21F2N — CID 10869188

IUPAC3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCN(CC=C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2N/c1-12(2)7-9-19(10-8-13(3)4)14-5-6-15(17)16(18)11-14/h5-8,11H,9-10H2,1-4H3
InChIKeyKFNUMIADDAKQKU-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.70
Rot. Bonds5

About 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline

3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline (PubChem CID 10869188) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline
PubChem CID10869188
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCN(CC=C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2N/c1-12(2)7-9-19(10-8-13(3)4)14-5-6-15(17)16(18)11-14/h5-8,11H,9-10H2,1-4H3
InChIKeyKFNUMIADDAKQKU-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline 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 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline?
The IUPAC name of 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline (CID 10869188) is 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline.
What is the SMILES notation for 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline?
The canonical SMILES for 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline is CC(C)=CCN(CC=C(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline?
The InChIKey is KFNUMIADDAKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-12(2)7-9-19(10-8-13(3)4)14-5-6-15(17)16(18)11-14/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline?
3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline has a molecular weight of 265.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline is sourced from PubChem (CID 10869188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).