ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine

C13H28F3NO — CID 144800507

IUPACethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
SMILESCC.COC(C)(C)CCN(C)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO.C2H6/c1-10(2,16-4)7-9-15(3)8-5-6-11(12,13)14;1-2/h5-9H2,1-4H3;1-2H3
InChIKeyAFEDSYCLJUNVMG-UHFFFAOYSA-N
MW271.37 g/mol
LogP4.10
Rot. Bonds7

About ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine

ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine (PubChem CID 144800507) has the molecular formula C13H28F3NO and a molecular weight of 271.37 g/mol. Its IUPAC name is ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine.

Molecular Properties

Compound Nameethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
PubChem CID144800507
Molecular FormulaC13H28F3NO
Molecular Weight271.37 g/mol
Exact Mass271.21
IUPAC Nameethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
SMILESCC.COC(C)(C)CCN(C)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO.C2H6/c1-10(2,16-4)7-9-15(3)8-5-6-11(12,13)14;1-2/h5-9H2,1-4H3;1-2H3
InChIKeyAFEDSYCLJUNVMG-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 54.10
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
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
ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 164918700

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The IUPAC name of ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine (CID 144800507) is ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine.
What is the SMILES notation for ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The canonical SMILES for ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine is CC.COC(C)(C)CCN(C)CCCC(F)(F)F.
What is the InChIKey of ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The InChIKey is AFEDSYCLJUNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO.C2H6/c1-10(2,16-4)7-9-15(3)8-5-6-11(12,13)14;1-2/h5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine is sourced from PubChem (CID 144800507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).