N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine

C8H15F2NO2 — CID 106658931

IUPACN-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCC(F)F)CO1
InChIInChI=1S/C8H15F2NO2/c1-8(2)12-4-6(5-13-8)11-3-7(9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyFOPOGVKDTXLQHP-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.99
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658931) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658931
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC NameN-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCC(F)F)CO1
InChIInChI=1S/C8H15F2NO2/c1-8(2)12-4-6(5-13-8)11-3-7(9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyFOPOGVKDTXLQHP-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
CID 106659034
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
2,2-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxan-5-amine
CID 106658667
2,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-dioxan-5-amine
CID 106658862
N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 106658079
N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine
CID 22160579
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658781
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658581
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658931) is N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(NCC(F)F)CO1.
What is the InChIKey of N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is FOPOGVKDTXLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-8(2)12-4-6(5-13-8)11-3-7(9)10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 195.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).