2,2-difluoro-N-methylbutan-1-amine;ethane

C7H17F2N — CID 143976387

IUPAC2,2-difluoro-N-methylbutan-1-amine;ethane
SMILESCC.CCC(F)(F)CNC
InChIInChI=1S/C5H11F2N.C2H6/c1-3-5(6,7)4-8-2;1-2/h8H,3-4H2,1-2H3;1-2H3
InChIKeyNNZWVQBOJCVNHE-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.28
Rot. Bonds3

About 2,2-difluoro-N-methylbutan-1-amine;ethane

2,2-difluoro-N-methylbutan-1-amine;ethane (PubChem CID 143976387) has the molecular formula C7H17F2N and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,2-difluoro-N-methylbutan-1-amine;ethane.

Molecular Properties

Compound Name2,2-difluoro-N-methylbutan-1-amine;ethane
PubChem CID143976387
Molecular FormulaC7H17F2N
Molecular Weight153.22 g/mol
Exact Mass153.13
IUPAC Name2,2-difluoro-N-methylbutan-1-amine;ethane
SMILESCC.CCC(F)(F)CNC
InChIInChI=1S/C5H11F2N.C2H6/c1-3-5(6,7)4-8-2;1-2/h8H,3-4H2,1-2H3;1-2H3
InChIKeyNNZWVQBOJCVNHE-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane
CID 171816861
2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115133048
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine
CID 165464055
N-(2,2-difluorobutyl)acetamide
CID 88583149
2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 165462395
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 165461902
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168
N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 55056657
2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 165464054
N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
2-ethyl-1-N-methylbutane-1,2-diamine
CID 21278322

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylbutan-1-amine;ethane?
The IUPAC name of 2,2-difluoro-N-methylbutan-1-amine;ethane (CID 143976387) is 2,2-difluoro-N-methylbutan-1-amine;ethane.
What is the SMILES notation for 2,2-difluoro-N-methylbutan-1-amine;ethane?
The canonical SMILES for 2,2-difluoro-N-methylbutan-1-amine;ethane is CC.CCC(F)(F)CNC.
What is the InChIKey of 2,2-difluoro-N-methylbutan-1-amine;ethane?
The InChIKey is NNZWVQBOJCVNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N.C2H6/c1-3-5(6,7)4-8-2;1-2/h8H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluoro-N-methylbutan-1-amine;ethane?
2,2-difluoro-N-methylbutan-1-amine;ethane has a molecular weight of 153.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylbutan-1-amine;ethane is sourced from PubChem (CID 143976387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).