6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol

C14H24F3NO2 — CID 162578434

IUPAC6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol
SMILESCCCC1=CC(C(N)C(F)(F)F)C(O)C(CCC)C1O
InChIInChI=1S/C14H24F3NO2/c1-3-5-8-7-10(13(18)14(15,16)17)12(20)9(6-4-2)11(8)19/h7,9-13,19-20H,3-6,18H2,1-2H3
InChIKeyLIJVDXADLJJHMN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.37
Rot. Bonds5

About 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol

6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol (PubChem CID 162578434) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Name6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol
PubChem CID162578434
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol
SMILESCCCC1=CC(C(N)C(F)(F)F)C(O)C(CCC)C1O
InChIInChI=1S/C14H24F3NO2/c1-3-5-8-7-10(13(18)14(15,16)17)12(20)9(6-4-2)11(8)19/h7,9-13,19-20H,3-6,18H2,1-2H3
InChIKeyLIJVDXADLJJHMN-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol?
The IUPAC name of 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol (CID 162578434) is 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol.
What is the SMILES notation for 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol?
The canonical SMILES for 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol is CCCC1=CC(C(N)C(F)(F)F)C(O)C(CCC)C1O.
What is the InChIKey of 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol?
The InChIKey is LIJVDXADLJJHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-3-5-8-7-10(13(18)14(15,16)17)12(20)9(6-4-2)11(8)19/h7,9-13,19-20H,3-6,18H2,1-2H3.
What are the key properties of 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol?
6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol has a molecular weight of 295.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2,2,2-trifluoroethyl)-2,4-dipropylcyclohex-4-ene-1,3-diol is sourced from PubChem (CID 162578434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).