7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one

C14H19F2NO — CID 116581720

IUPAC7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one
SMILESCC(CCN)CCC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-10(6-7-17)2-4-12(18)8-11-3-5-13(15)14(16)9-11/h3,5,9-10H,2,4,6-8,17H2,1H3
InChIKeyLIFVMCPSGSGCRA-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.84
Rot. Bonds7

About 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one

7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one (PubChem CID 116581720) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one
PubChem CID116581720
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one
SMILESCC(CCN)CCC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-10(6-7-17)2-4-12(18)8-11-3-5-13(15)14(16)9-11/h3,5,9-10H,2,4,6-8,17H2,1H3
InChIKeyLIFVMCPSGSGCRA-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-(3,4-difluorophenyl)-5-methylhexan-2-one
CID 116607655
1-(3,4-difluorophenyl)-6-methylheptan-2-one
CID 115795494
5-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-6-methylheptan-2-one
CID 103042575
1-(3,4-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558289
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
1-(3,4-difluorophenyl)hept-5-yn-2-one
CID 115801681
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
CID 116581614
1-(tert-butylamino)-3-(3,4-difluorophenyl)propan-2-one
CID 116588965
1-(3,4-difluorophenyl)-5-ethoxypentan-2-one
CID 105124613
6-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116607590

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one?
The IUPAC name of 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one (CID 116581720) is 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one.
What is the SMILES notation for 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one?
The canonical SMILES for 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one is CC(CCN)CCC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one?
The InChIKey is LIFVMCPSGSGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(6-7-17)2-4-12(18)8-11-3-5-13(15)14(16)9-11/h3,5,9-10H,2,4,6-8,17H2,1H3.
What are the key properties of 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one?
7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one has a molecular weight of 255.31 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one is sourced from PubChem (CID 116581720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).