5-amino-5-(2-fluorophenyl)pentan-2-one

C11H14FNO — CID 116940768

IUPAC5-amino-5-(2-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(N)c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(14)6-7-11(13)9-4-2-3-5-10(9)12/h2-5,11H,6-7,13H2,1H3
InChIKeyYCZQPDLKMSFNBL-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.19
Rot. Bonds4

About 5-amino-5-(2-fluorophenyl)pentan-2-one

5-amino-5-(2-fluorophenyl)pentan-2-one (PubChem CID 116940768) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-amino-5-(2-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(2-fluorophenyl)pentan-2-one
PubChem CID116940768
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-amino-5-(2-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(N)c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(14)6-7-11(13)9-4-2-3-5-10(9)12/h2-5,11H,6-7,13H2,1H3
InChIKeyYCZQPDLKMSFNBL-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2-fluorophenyl)propan-1-amine
CID 18439474
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
5-(2,6-difluorophenyl)hexan-2-one
CID 83925322

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-fluorophenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(2-fluorophenyl)pentan-2-one (CID 116940768) is 5-amino-5-(2-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(2-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(2-fluorophenyl)pentan-2-one is CC(=O)CCC(N)c1ccccc1F.
What is the InChIKey of 5-amino-5-(2-fluorophenyl)pentan-2-one?
The InChIKey is YCZQPDLKMSFNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(14)6-7-11(13)9-4-2-3-5-10(9)12/h2-5,11H,6-7,13H2,1H3.
What are the key properties of 5-amino-5-(2-fluorophenyl)pentan-2-one?
5-amino-5-(2-fluorophenyl)pentan-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-fluorophenyl)pentan-2-one is sourced from PubChem (CID 116940768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).