7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one

C15H22FNO — CID 116574862

IUPAC7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO/c1-15(2,9-10-17)8-7-13(18)11-12-5-3-4-6-14(12)16/h3-6H,7-11,17H2,1-2H3
InChIKeyNZSBBUGFCPYPSO-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.09
Rot. Bonds7

About 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one

7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one (PubChem CID 116574862) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
PubChem CID116574862
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO/c1-15(2,9-10-17)8-7-13(18)11-12-5-3-4-6-14(12)16/h3-6H,7-11,17H2,1-2H3
InChIKeyNZSBBUGFCPYPSO-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767
7-amino-1-(3,5-difluorophenyl)-5,5-dimethylheptan-2-one
CID 105411953
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
7-amino-1-(1,3-benzothiazol-2-yl)-5,5-dimethylheptan-2-one
CID 116574888
1-(2-fluorophenyl)octan-2-one
CID 62620630
1-tert-butylsulfinyl-3-(2-fluorophenyl)propan-2-one
CID 64638868
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one
CID 116605498
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one?
The IUPAC name of 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one (CID 116574862) is 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one.
What is the SMILES notation for 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one?
The canonical SMILES for 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one is CC(C)(CCN)CCC(=O)Cc1ccccc1F.
What is the InChIKey of 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one?
The InChIKey is NZSBBUGFCPYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,9-10-17)8-7-13(18)11-12-5-3-4-6-14(12)16/h3-6H,7-11,17H2,1-2H3.
What are the key properties of 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one?
7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one has a molecular weight of 251.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one is sourced from PubChem (CID 116574862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).