4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid

C14H22F3NO3 — CID 66247310

IUPAC4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C1CCC(C(F)(F)F)CC1)C1COCC1C(=O)O
InChIInChI=1S/C14H22F3NO3/c1-2-18(12-8-21-7-11(12)13(19)20)10-5-3-9(4-6-10)14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyVVIIOBRESJLSPY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.53
Rot. Bonds4

About 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid (PubChem CID 66247310) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
PubChem CID66247310
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C1CCC(C(F)(F)F)CC1)C1COCC1C(=O)O
InChIInChI=1S/C14H22F3NO3/c1-2-18(12-8-21-7-11(12)13(19)20)10-5-3-9(4-6-10)14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyVVIIOBRESJLSPY-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
CID 79863742
4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
CID 106874529
4-[(1,1-dioxothian-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66251366
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid
CID 66246049
4-[cyclohex-2-en-1-yl(ethyl)amino]oxolane-3-carboxylic acid
CID 114620459
N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 162576485
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 63068767

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid (CID 66247310) is 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid is CCN(C1CCC(C(F)(F)F)CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
The InChIKey is VVIIOBRESJLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-2-18(12-8-21-7-11(12)13(19)20)10-5-3-9(4-6-10)14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).