2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid

C11H19F2NO2 — CID 150445731

IUPAC2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid
SMILESO=C(O)C(CF)(CF)CNC1CCCCC1
InChIInChI=1S/C11H19F2NO2/c12-6-11(7-13,10(15)16)8-14-9-4-2-1-3-5-9/h9,14H,1-8H2,(H,15,16)
InChIKeyHMSLWZIRNNMVKV-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.92
Rot. Bonds6

About 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid

2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid (PubChem CID 150445731) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid
PubChem CID150445731
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid
SMILESO=C(O)C(CF)(CF)CNC1CCCCC1
InChIInChI=1S/C11H19F2NO2/c12-6-11(7-13,10(15)16)8-14-9-4-2-1-3-5-9/h9,14H,1-8H2,(H,15,16)
InChIKeyHMSLWZIRNNMVKV-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexylaminopropionic acid
CID 33631
3-(Cyclohexylamino)propanoic acid hydrochloride
CID 137971686
3-(Cyclohexylamino)butanoic acid
CID 13200145
3-(Cyclohexylamino)-2-methylpropanoic acid
CID 13859967
2,4,4-Trifluoro-3-(hexylamino)butanoic acid
CID 20479072
3-(Cyclopentylamino)-2-fluoro-2-methylpropanoic acid
CID 123298897
3-(Cyclohexylamino)-2,2-difluoropropanoic acid
CID 123383254
3-(Cyclohexylamino)-2-fluoro-2-methylpropanoic acid
CID 123573302
N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174749910
N-butylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174841593
N-propylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174842081
3-[[4-(Trifluoromethyl)cyclohexyl]amino]propanoic acid
CID 64755063

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid?
The IUPAC name of 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid (CID 150445731) is 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid is O=C(O)C(CF)(CF)CNC1CCCCC1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid?
The InChIKey is HMSLWZIRNNMVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c12-6-11(7-13,10(15)16)8-14-9-4-2-1-3-5-9/h9,14H,1-8H2,(H,15,16).
What are the key properties of 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid?
2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid has a molecular weight of 235.27 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid is sourced from PubChem (CID 150445731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).