(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine

C11H15F3N2O — CID 70842977

IUPAC(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine
SMILESNC1CO[C@H](C2CC(F)=C(F)C=C2F)C(N)C1
InChIInChI=1S/C11H15F3N2O/c12-7-3-9(14)8(13)2-6(7)11-10(16)1-5(15)4-17-11/h3,5-6,10-11H,1-2,4,15-16H2/t5?,6?,10?,11-/m1/s1
InChIKeyOJYMBSVVAJDOQO-QAOWGZAFSA-N
MW248.25 g/mol
LogP1.45
Rot. Bonds1

About (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine

(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine (PubChem CID 70842977) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine.

Molecular Properties

Compound Name(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine
PubChem CID70842977
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine
SMILESNC1CO[C@H](C2CC(F)=C(F)C=C2F)C(N)C1
InChIInChI=1S/C11H15F3N2O/c12-7-3-9(14)8(13)2-6(7)11-10(16)1-5(15)4-17-11/h3,5-6,10-11H,1-2,4,15-16H2/t5?,6?,10?,11-/m1/s1
InChIKeyOJYMBSVVAJDOQO-QAOWGZAFSA-N
XLogP1.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine?
The IUPAC name of (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine (CID 70842977) is (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine.
What is the SMILES notation for (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine?
The canonical SMILES for (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine is NC1CO[C@H](C2CC(F)=C(F)C=C2F)C(N)C1.
What is the InChIKey of (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine?
The InChIKey is OJYMBSVVAJDOQO-QAOWGZAFSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-7-3-9(14)8(13)2-6(7)11-10(16)1-5(15)4-17-11/h3,5-6,10-11H,1-2,4,15-16H2/t5?,6?,10?,11-/m1/s1.
What are the key properties of (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine?
(2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine has a molecular weight of 248.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,5-trifluorocyclohexa-2,4-dien-1-yl)oxane-3,5-diamine is sourced from PubChem (CID 70842977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).