2-amino-2-cyclohexyl-2-fluoroacetic acid

C8H14FNO2 — CID 176668442

IUPAC2-amino-2-cyclohexyl-2-fluoroacetic acid
SMILESNC(F)(C(=O)O)C1CCCCC1
InChIInChI=1S/C8H14FNO2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h6H,1-5,10H2,(H,11,12)
InChIKeyYQNAFYIFRHDSOE-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.28
Rot. Bonds2

About 2-amino-2-cyclohexyl-2-fluoroacetic acid

2-amino-2-cyclohexyl-2-fluoroacetic acid (PubChem CID 176668442) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-2-fluoroacetic acid.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-2-fluoroacetic acid
PubChem CID176668442
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-amino-2-cyclohexyl-2-fluoroacetic acid
SMILESNC(F)(C(=O)O)C1CCCCC1
InChIInChI=1S/C8H14FNO2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h6H,1-5,10H2,(H,11,12)
InChIKeyYQNAFYIFRHDSOE-UHFFFAOYSA-N
XLogP1.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
2-cyclohexyl-2,2-difluoroacetohydrazide
CID 171115732
cyclooctylhydrazine;2,2,2-trifluoroacetic acid
CID 68818216
dicyclohexylmethanediamine;hexanedioic acid
CID 70400828
cyclopentanol;2,2,2-trifluoroacetic acid
CID 175723828
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
CID 105455433

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-2-fluoroacetic acid?
The IUPAC name of 2-amino-2-cyclohexyl-2-fluoroacetic acid (CID 176668442) is 2-amino-2-cyclohexyl-2-fluoroacetic acid.
What is the SMILES notation for 2-amino-2-cyclohexyl-2-fluoroacetic acid?
The canonical SMILES for 2-amino-2-cyclohexyl-2-fluoroacetic acid is NC(F)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-2-fluoroacetic acid?
The InChIKey is YQNAFYIFRHDSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h6H,1-5,10H2,(H,11,12).
What are the key properties of 2-amino-2-cyclohexyl-2-fluoroacetic acid?
2-amino-2-cyclohexyl-2-fluoroacetic acid has a molecular weight of 175.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-2-fluoroacetic acid is sourced from PubChem (CID 176668442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).