ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine

C8H18F3N — CID 166092761

IUPACethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
SMILESCC.CN(C)CCCC(F)(F)F
InChIInChI=1S/C6H12F3N.C2H6/c1-10(2)5-3-4-6(7,8)9;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyNLJNUCYZBBKDAK-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.92
Rot. Bonds3

About ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine

ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine (PubChem CID 166092761) has the molecular formula C8H18F3N and a molecular weight of 185.23 g/mol. Its IUPAC name is ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
PubChem CID166092761
Molecular FormulaC8H18F3N
Molecular Weight185.23 g/mol
Exact Mass185.14
IUPAC Nameethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
SMILESCC.CN(C)CCCC(F)(F)F
InChIInChI=1S/C6H12F3N.C2H6/c1-10(2)5-3-4-6(7,8)9;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyNLJNUCYZBBKDAK-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 115518473
N-(2-chloroethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 115518358
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
N-(2-bromoethyl)-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 115518451
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488246
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine?
The IUPAC name of ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine (CID 166092761) is ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine.
What is the SMILES notation for ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine?
The canonical SMILES for ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine is CC.CN(C)CCCC(F)(F)F.
What is the InChIKey of ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine?
The InChIKey is NLJNUCYZBBKDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N.C2H6/c1-10(2)5-3-4-6(7,8)9;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine?
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine has a molecular weight of 185.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 166092761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).