3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C9H18F3NO — CID 164919042

IUPAC3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCOC(C)(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,14-4)5-6-13(3)7-9(10,11)12/h5-7H2,1-4H3
InChIKeyIMZQQDNCWYQJAH-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine

3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 164919042) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID164919042
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCOC(C)(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,14-4)5-6-13(3)7-9(10,11)12/h5-7H2,1-4H3
InChIKeyIMZQQDNCWYQJAH-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806
3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 117937214
3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 121474462
3-methoxy-3-methyl-N-methylsulfanyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 123143470
N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
CID 134270019
3,3-Difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 138601828
4-(Diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 139686700
ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 144800507
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784
1-[1,1,2,2,4,4,4-Heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine
CID 156806396
Ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 163257601
4-Methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 163257602

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 164919042) is 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is COC(C)(C)CCN(C)CC(F)(F)F.
What is the InChIKey of 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is IMZQQDNCWYQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2,14-4)5-6-13(3)7-9(10,11)12/h5-7H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 164919042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).