6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane

C16H25F6NO — CID 163561453

IUPAC6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane
SMILESCCC1OCN(C2CCCC(C(F)(F)F)C2)CC1C(F)C(F)CF
InChIInChI=1S/C16H25F6NO/c1-2-14-12(15(19)13(18)7-17)8-23(9-24-14)11-5-3-4-10(6-11)16(20,21)22/h10-15H,2-9H2,1H3
InChIKeyFROASPHJPLWOMH-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.44
Rot. Bonds5

About 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane

6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane (PubChem CID 163561453) has the molecular formula C16H25F6NO and a molecular weight of 361.37 g/mol. Its IUPAC name is 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane.

Molecular Properties

Compound Name6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane
PubChem CID163561453
Molecular FormulaC16H25F6NO
Molecular Weight361.37 g/mol
Exact Mass361.18
IUPAC Name6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane
SMILESCCC1OCN(C2CCCC(C(F)(F)F)C2)CC1C(F)C(F)CF
InChIInChI=1S/C16H25F6NO/c1-2-14-12(15(19)13(18)7-17)8-23(9-24-14)11-5-3-4-10(6-11)16(20,21)22/h10-15H,2-9H2,1H3
InChIKeyFROASPHJPLWOMH-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane?
The IUPAC name of 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane (CID 163561453) is 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane.
What is the SMILES notation for 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane?
The canonical SMILES for 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane is CCC1OCN(C2CCCC(C(F)(F)F)C2)CC1C(F)C(F)CF.
What is the InChIKey of 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane?
The InChIKey is FROASPHJPLWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F6NO/c1-2-14-12(15(19)13(18)7-17)8-23(9-24-14)11-5-3-4-10(6-11)16(20,21)22/h10-15H,2-9H2,1H3.
What are the key properties of 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane?
6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane has a molecular weight of 361.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[3-(trifluoromethyl)cyclohexyl]-5-(1,2,3-trifluoropropyl)-1,3-oxazinane is sourced from PubChem (CID 163561453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).