4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid

C9H16FNO2 — CID 80695255

IUPAC4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCF)CC1
InChIInChI=1S/C9H16FNO2/c10-5-6-11-8-3-1-7(2-4-8)9(12)13/h7-8,11H,1-6H2,(H,12,13)
InChIKeyRGPGPDOQUHVRLZ-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.19
Rot. Bonds4

About 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid

4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid (PubChem CID 80695255) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid
PubChem CID80695255
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCF)CC1
InChIInChI=1S/C9H16FNO2/c10-5-6-11-8-3-1-7(2-4-8)9(12)13/h7-8,11H,1-6H2,(H,12,13)
InChIKeyRGPGPDOQUHVRLZ-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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Related Compounds

4-Aminocyclohexanecarboxylic acid
CID 171560
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(Carbamoylamino)cyclohexane-1-carboxylic acid
CID 45792187
Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
4-(2-Cyclohexylacetamido)cyclohexane-1-carboxylic acid
CID 47003034
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
4-(2-Fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 312741
trans-4-(Dimethylamino)cyclohexanecarboxylic acid
CID 14876726
(1R,3S,4R)-4-amino-3-fluorocyclohexane-1-carboxylic acid
CID 68700713

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid (CID 80695255) is 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCF)CC1.
What is the InChIKey of 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RGPGPDOQUHVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-5-6-11-8-3-1-7(2-4-8)9(12)13/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid?
4-(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 4-(2-fluoroethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 80695255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).