7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine

C12H20F3NO — CID 103785787

IUPAC7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(CC(F)(F)F)NC1C2CCOC2C1(C)C
InChIInChI=1S/C12H20F3NO/c1-7(6-12(13,14)15)16-9-8-4-5-17-10(8)11(9,2)3/h7-10,16H,4-6H2,1-3H3
InChIKeySDWUZDYPRUDXGS-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.73
Rot. Bonds3

About 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 103785787) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID103785787
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(CC(F)(F)F)NC1C2CCOC2C1(C)C
InChIInChI=1S/C12H20F3NO/c1-7(6-12(13,14)15)16-9-8-4-5-17-10(8)11(9,2)3/h7-10,16H,4-6H2,1-3H3
InChIKeySDWUZDYPRUDXGS-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine hydrochloride
CID 53621896
rac-(1R,5R,6S)-1-((tert-butoxy)methyl)-6-(trifluoromethyl)-3-azabicyclo(3.2.0)heptane hydrochloride
CID 165984355
N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 53621897
2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 64852163
2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64853307
7,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862960
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
CID 64863452
7,7-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863513
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.4]octan-1-amine
CID 64863866
7,7-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864113
7,7-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864476
7,7-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864478

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 103785787) is 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC(CC(F)(F)F)NC1C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is SDWUZDYPRUDXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-7(6-12(13,14)15)16-9-8-4-5-17-10(8)11(9,2)3/h7-10,16H,4-6H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 251.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 103785787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).