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

C7H16F2N2 — CID 63223427

IUPAC3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)CC(F)F
InChIInChI=1S/C7H16F2N2/c1-6(3-4-10)11(2)5-7(8)9/h6-7H,3-5,10H2,1-2H3
InChIKeyKCAHORHSRIANPI-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds5

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

3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine (PubChem CID 63223427) has the molecular formula C7H16F2N2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
PubChem CID63223427
Molecular FormulaC7H16F2N2
Molecular Weight166.22 g/mol
Exact Mass166.13
IUPAC Name3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)CC(F)F
InChIInChI=1S/C7H16F2N2/c1-6(3-4-10)11(2)5-7(8)9/h6-7H,3-5,10H2,1-2H3
InChIKeyKCAHORHSRIANPI-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604
3-N-[(3,5-difluorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 105402870
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
3-[2,2-difluoroethyl(methyl)amino]butan-2-ol
CID 115868925
2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
CID 61453369
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
CID 86775689
3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
CID 117040502
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
CID 117040503
N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride
CID 75493602

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine (CID 63223427) is 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)CC(F)F.
What is the InChIKey of 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is KCAHORHSRIANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2/c1-6(3-4-10)11(2)5-7(8)9/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine?
3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 166.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 63223427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).