N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine

C10H17F2NO — CID 164659795

IUPACN-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
SMILESCC1OCC(NCC2CC2(F)F)C1C
InChIInChI=1S/C10H17F2NO/c1-6-7(2)14-5-9(6)13-4-8-3-10(8,11)12/h6-9,13H,3-5H2,1-2H3
InChIKeyQGDITDWXTIQTRW-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.65
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine

N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine (PubChem CID 164659795) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
PubChem CID164659795
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine
SMILESCC1OCC(NCC2CC2(F)F)C1C
InChIInChI=1S/C10H17F2NO/c1-6-7(2)14-5-9(6)13-4-8-3-10(8,11)12/h6-9,13H,3-5H2,1-2H3
InChIKeyQGDITDWXTIQTRW-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-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
1-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490679
N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426645
N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
CID 62445971
1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63912250
1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63912252
N-[1-cyclopropyl-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63912680
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 66204362
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine
CID 66246565
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256582
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine
CID 66258381
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]cyclopropanamine
CID 66275519

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine (CID 164659795) is N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine is CC1OCC(NCC2CC2(F)F)C1C.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
The InChIKey is QGDITDWXTIQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-6-7(2)14-5-9(6)13-4-8-3-10(8,11)12/h6-9,13H,3-5H2,1-2H3.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine?
N-[(2,2-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-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-difluorocyclopropyl)methyl]-4,5-dimethyloxolan-3-amine is sourced from PubChem (CID 164659795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).