2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid

C14H17ClFNO2 — CID 54892833

IUPAC2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-10-7-4-8-11(16)12(10)13(14(18)19)17-9-5-2-1-3-6-9/h4,7-9,13,17H,1-3,5-6H2,(H,18,19)
InChIKeyPNYMINGADSCQLR-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.53
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid

2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid (PubChem CID 54892833) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid
PubChem CID54892833
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-10-7-4-8-11(16)12(10)13(14(18)19)17-9-5-2-1-3-6-9/h4,7-9,13,17H,1-3,5-6H2,(H,18,19)
InChIKeyPNYMINGADSCQLR-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid (CID 54892833) is 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid is O=C(O)C(NC1CCCCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid?
The InChIKey is PNYMINGADSCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-10-7-4-8-11(16)12(10)13(14(18)19)17-9-5-2-1-3-6-9/h4,7-9,13,17H,1-3,5-6H2,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid?
2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid has a molecular weight of 285.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(cyclohexylamino)acetic acid is sourced from PubChem (CID 54892833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).