8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine

C16H26F3NO — CID 64862848

IUPAC8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NC2CCC(C(F)(F)F)CC2)C2CCCOC21
InChIInChI=1S/C16H26F3NO/c1-15(2)13(12-4-3-9-21-14(12)15)20-11-7-5-10(6-8-11)16(17,18)19/h10-14,20H,3-9H2,1-2H3
InChIKeyIRGAFVQCSHSMAY-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.90
Rot. Bonds2

About 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862848) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862848
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Name8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NC2CCC(C(F)(F)F)CC2)C2CCCOC21
InChIInChI=1S/C16H26F3NO/c1-15(2)13(12-4-3-9-21-14(12)15)20-11-7-5-10(6-8-11)16(17,18)19/h10-14,20H,3-9H2,1-2H3
InChIKeyIRGAFVQCSHSMAY-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862848) is 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NC2CCC(C(F)(F)F)CC2)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is IRGAFVQCSHSMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-15(2)13(12-4-3-9-21-14(12)15)20-11-7-5-10(6-8-11)16(17,18)19/h10-14,20H,3-9H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 305.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).