2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C9H20F2N2 — CID 61477125

IUPAC2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCC(F)F
InChIInChI=1S/C9H20F2N2/c1-7(2)8(6-13(3)4)12-5-9(10)11/h7-9,12H,5-6H2,1-4H3
InChIKeyYUXIHZHRQYJYHE-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.43
Rot. Bonds6

About 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61477125) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61477125
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC Name2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCC(F)F
InChIInChI=1S/C9H20F2N2/c1-7(2)8(6-13(3)4)12-5-9(10)11/h7-9,12H,5-6H2,1-4H3
InChIKeyYUXIHZHRQYJYHE-UHFFFAOYSA-N
XLogP1.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
2-N-[(3,5-difluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113338404
N-(2,2-difluoroethyl)-3-methylbutan-2-amine
CID 60922159
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
CID 80560519
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411042
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61477125) is 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)NCC(F)F.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is YUXIHZHRQYJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2/c1-7(2)8(6-13(3)4)12-5-9(10)11/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 194.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61477125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).