N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine

C9H19F2NO — CID 106676428

IUPACN-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(CC(C)(C)OC)C(F)F
InChIInChI=1S/C9H19F2NO/c1-5-12-7(8(10)11)6-9(2,3)13-4/h7-8,12H,5-6H2,1-4H3
InChIKeyXCFMBJKOWNCVQD-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine

N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine (PubChem CID 106676428) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine
PubChem CID106676428
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC NameN-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(CC(C)(C)OC)C(F)F
InChIInChI=1S/C9H19F2NO/c1-5-12-7(8(10)11)6-9(2,3)13-4/h7-8,12H,5-6H2,1-4H3
InChIKeyXCFMBJKOWNCVQD-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Tert-butoxy)-2,2-difluoropropyl](propan-2-yl)amine
CID 135173990
(2S)-N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methylbutan-2-amine
CID 173766725
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine
CID 60855132
4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
CID 60997688
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61491008
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 61491047
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-propyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706243
N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706655
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine (CID 106676428) is N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine is CCNC(CC(C)(C)OC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
The InChIKey is XCFMBJKOWNCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-5-12-7(8(10)11)6-9(2,3)13-4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine has a molecular weight of 195.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 106676428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).