[4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine

C13H26FNO — CID 80699398

IUPAC[4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCCF)CC1
InChIInChI=1S/C13H26FNO/c1-12(2,3)11-4-6-13(10-15,7-5-11)16-9-8-14/h11H,4-10,15H2,1-3H3
InChIKeyYRTDISPTYUFUOP-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.91
Rot. Bonds4

About [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine

[4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine (PubChem CID 80699398) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine
PubChem CID80699398
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name[4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(OCCF)CC1
InChIInChI=1S/C13H26FNO/c1-12(2,3)11-4-6-13(10-15,7-5-11)16-9-8-14/h11H,4-10,15H2,1-3H3
InChIKeyYRTDISPTYUFUOP-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine (CID 80699398) is [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(OCCF)CC1.
What is the InChIKey of [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine?
The InChIKey is YRTDISPTYUFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-12(2,3)11-4-6-13(10-15,7-5-11)16-9-8-14/h11H,4-10,15H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine?
[4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine has a molecular weight of 231.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2-fluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 80699398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).