bis[4-(dimethylamino)-2,5-difluorophenyl]methanone

C17H16F4N2O — CID 56956390

IUPACbis[4-(dimethylamino)-2,5-difluorophenyl]methanone
SMILESCN(C)c1cc(F)c(C(=O)c2cc(F)c(N(C)C)cc2F)cc1F
InChIInChI=1S/C17H16F4N2O/c1-22(2)15-7-11(18)9(5-13(15)20)17(24)10-6-14(21)16(23(3)4)8-12(10)19/h5-8H,1-4H3
InChIKeyAFYPNITXMRJDHH-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.61
Rot. Bonds4

About bis[4-(dimethylamino)-2,5-difluorophenyl]methanone

bis[4-(dimethylamino)-2,5-difluorophenyl]methanone (PubChem CID 56956390) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is bis[4-(dimethylamino)-2,5-difluorophenyl]methanone.

Molecular Properties

Compound Namebis[4-(dimethylamino)-2,5-difluorophenyl]methanone
PubChem CID56956390
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Namebis[4-(dimethylamino)-2,5-difluorophenyl]methanone
SMILESCN(C)c1cc(F)c(C(=O)c2cc(F)c(N(C)C)cc2F)cc1F
InChIInChI=1S/C17H16F4N2O/c1-22(2)15-7-11(18)9(5-13(15)20)17(24)10-6-14(21)16(23(3)4)8-12(10)19/h5-8H,1-4H3
InChIKeyAFYPNITXMRJDHH-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
CID 83388961
5-(dimethylamino)-2-fluoro-4-propan-2-ylbenzoic acid
CID 162751811
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
[4-(dimethylamino)-3-fluorophenyl]azanium
CID 140634882
(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693764
3-[4-(dimethylamino)-3-fluorophenyl]butanoic acid
CID 83389210
bis[4-(dimethylamino)-2,3-dimethylphenyl]methanone
CID 66549240
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746

Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)-2,5-difluorophenyl]methanone?
The IUPAC name of bis[4-(dimethylamino)-2,5-difluorophenyl]methanone (CID 56956390) is bis[4-(dimethylamino)-2,5-difluorophenyl]methanone.
What is the SMILES notation for bis[4-(dimethylamino)-2,5-difluorophenyl]methanone?
The canonical SMILES for bis[4-(dimethylamino)-2,5-difluorophenyl]methanone is CN(C)c1cc(F)c(C(=O)c2cc(F)c(N(C)C)cc2F)cc1F.
What is the InChIKey of bis[4-(dimethylamino)-2,5-difluorophenyl]methanone?
The InChIKey is AFYPNITXMRJDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c1-22(2)15-7-11(18)9(5-13(15)20)17(24)10-6-14(21)16(23(3)4)8-12(10)19/h5-8H,1-4H3.
What are the key properties of bis[4-(dimethylamino)-2,5-difluorophenyl]methanone?
bis[4-(dimethylamino)-2,5-difluorophenyl]methanone has a molecular weight of 340.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)-2,5-difluorophenyl]methanone is sourced from PubChem (CID 56956390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).