N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine

C8H17F2N — CID 20811852

IUPACN-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CC(F)F
InChIInChI=1S/C8H17F2N/c1-7(2)4-5-11(3)6-8(9)10/h7-8H,4-6H2,1-3H3
InChIKeyYAPAOMYTFFDZEU-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.23
Rot. Bonds5

About N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine

N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine (PubChem CID 20811852) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
PubChem CID20811852
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC NameN-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CC(F)F
InChIInChI=1S/C8H17F2N/c1-7(2)4-5-11(3)6-8(9)10/h7-8H,4-6H2,1-3H3
InChIKeyYAPAOMYTFFDZEU-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylbutyl)diethylamine
CID 199672
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
N,N-Dibutyl-N-(difluoromethyl)butan-1-aminium chloride
CID 24750688
Pentafluorotributylamine
CID 129731872
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
(2-methylbutyl)-N,N'-diethylamine
CID 13315691
Isoamyldibutylamine
CID 20558830
Nona-fluorotributylamine
CID 86154332
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine (CID 20811852) is N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is YAPAOMYTFFDZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-7(2)4-5-11(3)6-8(9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine?
N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 20811852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).