1-amino-1-(3-fluorophenyl)propan-2-one

C9H10FNO — CID 55295099

IUPAC1-amino-1-(3-fluorophenyl)propan-2-one
SMILESCC(=O)C(N)c1cccc(F)c1
InChIInChI=1S/C9H10FNO/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-5,9H,11H2,1H3
InChIKeyUNULYYAZWBDVLB-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.41
Rot. Bonds2

About 1-amino-1-(3-fluorophenyl)propan-2-one

1-amino-1-(3-fluorophenyl)propan-2-one (PubChem CID 55295099) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-amino-1-(3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(3-fluorophenyl)propan-2-one
PubChem CID55295099
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-amino-1-(3-fluorophenyl)propan-2-one
SMILESCC(=O)C(N)c1cccc(F)c1
InChIInChI=1S/C9H10FNO/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-5,9H,11H2,1H3
InChIKeyUNULYYAZWBDVLB-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
CID 82282052
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-fluorophenyl)propan-2-one?
The IUPAC name of 1-amino-1-(3-fluorophenyl)propan-2-one (CID 55295099) is 1-amino-1-(3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(3-fluorophenyl)propan-2-one is CC(=O)C(N)c1cccc(F)c1.
What is the InChIKey of 1-amino-1-(3-fluorophenyl)propan-2-one?
The InChIKey is UNULYYAZWBDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6(12)9(11)7-3-2-4-8(10)5-7/h2-5,9H,11H2,1H3.
What are the key properties of 1-amino-1-(3-fluorophenyl)propan-2-one?
1-amino-1-(3-fluorophenyl)propan-2-one has a molecular weight of 167.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-fluorophenyl)propan-2-one is sourced from PubChem (CID 55295099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).