2-aminopropanoic acid;1,3-difluorobenzene;ethane

C11H17F2NO2 — CID 143238171

IUPAC2-aminopropanoic acid;1,3-difluorobenzene;ethane
SMILESCC.CC(N)C(=O)O.Fc1cccc(F)c1
InChIInChI=1S/C6H4F2.C3H7NO2.C2H6/c7-5-2-1-3-6(8)4-5;1-2(4)3(5)6;1-2/h1-4H;2H,4H2,1H3,(H,5,6);1-2H3
InChIKeyCBMNHCROVWUUAM-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.41
Rot. Bonds1

About 2-aminopropanoic acid;1,3-difluorobenzene;ethane

2-aminopropanoic acid;1,3-difluorobenzene;ethane (PubChem CID 143238171) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-aminopropanoic acid;1,3-difluorobenzene;ethane.

Molecular Properties

Compound Name2-aminopropanoic acid;1,3-difluorobenzene;ethane
PubChem CID143238171
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-aminopropanoic acid;1,3-difluorobenzene;ethane
SMILESCC.CC(N)C(=O)O.Fc1cccc(F)c1
InChIInChI=1S/C6H4F2.C3H7NO2.C2H6/c7-5-2-1-3-6(8)4-5;1-2(4)3(5)6;1-2/h1-4H;2H,4H2,1H3,(H,5,6);1-2H3
InChIKeyCBMNHCROVWUUAM-UHFFFAOYSA-N
XLogP2.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-difluorobenzene;methanol
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(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
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1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
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(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;1,3-difluorobenzene;ethane?
The IUPAC name of 2-aminopropanoic acid;1,3-difluorobenzene;ethane (CID 143238171) is 2-aminopropanoic acid;1,3-difluorobenzene;ethane.
What is the SMILES notation for 2-aminopropanoic acid;1,3-difluorobenzene;ethane?
The canonical SMILES for 2-aminopropanoic acid;1,3-difluorobenzene;ethane is CC.CC(N)C(=O)O.Fc1cccc(F)c1.
What is the InChIKey of 2-aminopropanoic acid;1,3-difluorobenzene;ethane?
The InChIKey is CBMNHCROVWUUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C3H7NO2.C2H6/c7-5-2-1-3-6(8)4-5;1-2(4)3(5)6;1-2/h1-4H;2H,4H2,1H3,(H,5,6);1-2H3.
What are the key properties of 2-aminopropanoic acid;1,3-difluorobenzene;ethane?
2-aminopropanoic acid;1,3-difluorobenzene;ethane has a molecular weight of 233.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;1,3-difluorobenzene;ethane is sourced from PubChem (CID 143238171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).