4-(difluoromethyl)-N,N-diethylaniline

C11H15F2N — CID 154791327

IUPAC4-(difluoromethyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2N/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13/h5-8,11H,3-4H2,1-2H3
InChIKeyJKHLBDKLADSUHW-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.47
Rot. Bonds4

About 4-(difluoromethyl)-N,N-diethylaniline

4-(difluoromethyl)-N,N-diethylaniline (PubChem CID 154791327) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(difluoromethyl)-N,N-diethylaniline
PubChem CID154791327
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name4-(difluoromethyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2N/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13/h5-8,11H,3-4H2,1-2H3
InChIKeyJKHLBDKLADSUHW-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(difluoromethyl)-N,N-diethylaniline 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-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
CID 91741933
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
N,N-diethyl-4-fluoroaniline
CID 592416
3-[4-(diethylamino)phenyl]butanal
CID 117313265
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
CID 53403073
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-N,N-diethylaniline;hydrochloride
CID 171227547

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N,N-diethylaniline?
The IUPAC name of 4-(difluoromethyl)-N,N-diethylaniline (CID 154791327) is 4-(difluoromethyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(difluoromethyl)-N,N-diethylaniline?
The canonical SMILES for 4-(difluoromethyl)-N,N-diethylaniline is CCN(CC)c1ccc(C(F)F)cc1.
What is the InChIKey of 4-(difluoromethyl)-N,N-diethylaniline?
The InChIKey is JKHLBDKLADSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-N,N-diethylaniline?
4-(difluoromethyl)-N,N-diethylaniline has a molecular weight of 199.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N,N-diethylaniline is sourced from PubChem (CID 154791327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).