3-(dibenzylamino)-2,2-difluoropropanal

C17H17F2NO — CID 139388979

IUPAC3-(dibenzylamino)-2,2-difluoropropanal
SMILESO=CC(F)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17F2NO/c18-17(19,14-21)13-20(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyAYJOVEQFZCBNMV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.52
Rot. Bonds7

About 3-(dibenzylamino)-2,2-difluoropropanal

3-(dibenzylamino)-2,2-difluoropropanal (PubChem CID 139388979) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(dibenzylamino)-2,2-difluoropropanal.

Molecular Properties

Compound Name3-(dibenzylamino)-2,2-difluoropropanal
PubChem CID139388979
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(dibenzylamino)-2,2-difluoropropanal
SMILESO=CC(F)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17F2NO/c18-17(19,14-21)13-20(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyAYJOVEQFZCBNMV-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
CID 122491448
2-[[2,2-bis[[bis(carboxymethyl)amino]methyl]-3-(dibenzylamino)propyl]-(carboxymethyl)amino]acetic acid
CID 11445219
1-N,1-N-dibenzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847858
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-(dibenzylamino)ethyl formate
CID 24829039
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
CID 144947537
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
CID 118067597
2-[benzyl-(2-hydroxy-2-methylpropyl)amino]acetate
CID 86671796
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-2,2-difluoropropanal?
The IUPAC name of 3-(dibenzylamino)-2,2-difluoropropanal (CID 139388979) is 3-(dibenzylamino)-2,2-difluoropropanal.
What is the SMILES notation for 3-(dibenzylamino)-2,2-difluoropropanal?
The canonical SMILES for 3-(dibenzylamino)-2,2-difluoropropanal is O=CC(F)(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)-2,2-difluoropropanal?
The InChIKey is AYJOVEQFZCBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-17(19,14-21)13-20(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,14H,11-13H2.
What are the key properties of 3-(dibenzylamino)-2,2-difluoropropanal?
3-(dibenzylamino)-2,2-difluoropropanal has a molecular weight of 289.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-2,2-difluoropropanal is sourced from PubChem (CID 139388979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).