4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine

C9H16F3NO — CID 97179628

IUPAC4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C9H16F3NO/c1-2-14-8(9(10,11)12)5-3-7(13)4-6-8/h7H,2-6,13H2,1H3
InChIKeyYSBOKRFGJYINKH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds2

About 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine

4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 97179628) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID97179628
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C9H16F3NO/c1-2-14-8(9(10,11)12)5-3-7(13)4-6-8/h7H,2-6,13H2,1H3
InChIKeyYSBOKRFGJYINKH-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine (CID 97179628) is 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine is CCOC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YSBOKRFGJYINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-14-8(9(10,11)12)5-3-7(13)4-6-8/h7H,2-6,13H2,1H3.
What are the key properties of 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine?
4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 97179628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).