3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one

C12H13F2NO — CID 116608885

IUPAC3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one
SMILESNC(CC(=O)c1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C12H13F2NO/c13-9-3-8(4-10(14)5-9)12(16)6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2
InChIKeySLPWZWZOEORZCE-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.27
Rot. Bonds4

About 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one

3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one (PubChem CID 116608885) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one
PubChem CID116608885
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one
SMILESNC(CC(=O)c1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C12H13F2NO/c13-9-3-8(4-10(14)5-9)12(16)6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2
InChIKeySLPWZWZOEORZCE-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794
3-amino-3-cyclopropyl-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116608854
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
methyl 4-(3,5-difluorophenyl)-2-methoxy-4-oxobutanoate
CID 171935532
3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
CID 113411988
3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 116608834
3-cyclopentyl-3-(3,5-difluorophenyl)propanamide
CID 82088149
2-(cyclopropylmethylamino)-1-(3,5-difluorophenyl)ethanone
CID 116557749
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
CID 114863568
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one (CID 116608885) is 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one is NC(CC(=O)c1cc(F)cc(F)c1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one?
The InChIKey is SLPWZWZOEORZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-3-8(4-10(14)5-9)12(16)6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2.
What are the key properties of 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one?
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one has a molecular weight of 225.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one is sourced from PubChem (CID 116608885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).