N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C10H17F2NO — CID 115405849

IUPACN-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC(F)F)C2CCOC21
InChIInChI=1S/C10H17F2NO/c1-10(2)8(13-5-7(11)12)6-3-4-14-9(6)10/h6-9,13H,3-5H2,1-2H3
InChIKeyAWBVVUYFNPEMQN-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.65
Rot. Bonds3

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

N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 115405849) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID115405849
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC(F)F)C2CCOC21
InChIInChI=1S/C10H17F2NO/c1-10(2)8(13-5-7(11)12)6-3-4-14-9(6)10/h6-9,13H,3-5H2,1-2H3
InChIKeyAWBVVUYFNPEMQN-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 115405849) is N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCC(F)F)C2CCOC21.
What is the InChIKey of N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is AWBVVUYFNPEMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-10(2)8(13-5-7(11)12)6-3-4-14-9(6)10/h6-9,13H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 205.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 115405849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).