4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane

C15H21ClFNO — CID 143606824

IUPAC4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane
SMILESCC.CC(=O)C(CC1(N)CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFNO.C2H6/c1-8(17)10(7-13(16)4-5-13)9-2-3-11(14)12(15)6-9;1-2/h2-3,6,10H,4-5,7,16H2,1H3;1-2H3
InChIKeyNRHFVBFXDXZGBP-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.06
Rot. Bonds4

About 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane

4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane (PubChem CID 143606824) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane
PubChem CID143606824
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane
SMILESCC.CC(=O)C(CC1(N)CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFNO.C2H6/c1-8(17)10(7-13(16)4-5-13)9-2-3-11(14)12(15)6-9;1-2/h2-3,6,10H,4-5,7,16H2,1H3;1-2H3
InChIKeyNRHFVBFXDXZGBP-UHFFFAOYSA-N
XLogP4.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-(4-chloro-3-fluorophenyl)hexan-2-one
CID 143606857
3-(4-chloro-3-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 66767599
3-(4-chloro-3-fluorophenyl)-4-(4-methylpiperazin-1-yl)butan-2-one
CID 77228787
3-(4-chloro-3-fluorophenyl)-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]butan-2-one;ethane
CID 143607281
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
(2S)-2-(4-chloro-3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 67518904
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671063
2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide
CID 173431644
ethyl 3-(4-chloro-3-fluorophenyl)-3-(dimethylamino)propanoate
CID 64539052
4-amino-3-(4-bromo-3-fluorophenyl)butan-2-one
CID 77228789

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane?
The IUPAC name of 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane (CID 143606824) is 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane.
What is the SMILES notation for 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane?
The canonical SMILES for 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane is CC.CC(=O)C(CC1(N)CC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane?
The InChIKey is NRHFVBFXDXZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO.C2H6/c1-8(17)10(7-13(16)4-5-13)9-2-3-11(14)12(15)6-9;1-2/h2-3,6,10H,4-5,7,16H2,1H3;1-2H3.
What are the key properties of 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane?
4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane has a molecular weight of 285.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane is sourced from PubChem (CID 143606824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).