3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one

C10H12FNO — CID 117278674

IUPAC3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(CF)c1
InChIInChI=1S/C10H12FNO/c11-7-8-2-1-3-9(6-8)10(13)4-5-12/h1-3,6H,4-5,7,12H2
InChIKeySNUODAPNHQWVPF-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one

3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one (PubChem CID 117278674) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
PubChem CID117278674
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(CF)c1
InChIInChI=1S/C10H12FNO/c11-7-8-2-1-3-9(6-8)10(13)4-5-12/h1-3,6H,4-5,7,12H2
InChIKeySNUODAPNHQWVPF-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[3-(2,2,2-trifluoroethyl)phenyl]propan-1-one
CID 117333697
3-amino-1-[3-(2,2-difluoroethyl)phenyl]propan-1-one
CID 117303825
3-(fluoromethyl)benzoyl chloride
CID 88536338
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
3-(3-aminopropanoyl)benzonitrile
CID 117277123
2-bromoethyl 3-(fluoromethyl)benzoate
CID 174485566
1,3-bis(fluoromethyl)benzene
CID 23234185
3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
CID 117298773
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one (CID 117278674) is 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one is NCCC(=O)c1cccc(CF)c1.
What is the InChIKey of 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one?
The InChIKey is SNUODAPNHQWVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-7-8-2-1-3-9(6-8)10(13)4-5-12/h1-3,6H,4-5,7,12H2.
What are the key properties of 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one?
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one has a molecular weight of 181.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 117278674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).