3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid

C9H16FNO2 — CID 80693967

IUPAC3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCCF)C1
InChIInChI=1S/C9H16FNO2/c10-4-5-11-8-3-1-2-7(6-8)9(12)13/h7-8,11H,1-6H2,(H,12,13)
InChIKeyIEWQIIAWKBNXSY-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.19
Rot. Bonds4

About 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid

3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid (PubChem CID 80693967) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid
PubChem CID80693967
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCCF)C1
InChIInChI=1S/C9H16FNO2/c10-4-5-11-8-3-1-2-7(6-8)9(12)13/h7-8,11H,1-6H2,(H,12,13)
InChIKeyIEWQIIAWKBNXSY-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid (CID 80693967) is 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NCCF)C1.
What is the InChIKey of 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IEWQIIAWKBNXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-4-5-11-8-3-1-2-7(6-8)9(12)13/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 80693967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).