(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine

C8H17F2NO — CID 134269818

IUPAC(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)C[C@H](C)OC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)11(4)5-7(3)12-8(9)10/h6-8H,5H2,1-4H3/t7-/m0/s1
InChIKeyXZUCAWKYYCCSNY-ZETCQYMHSA-N
MW181.23 g/mol
LogP1.95
Rot. Bonds5

About (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine

(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 134269818) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine
PubChem CID134269818
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)C[C@H](C)OC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)11(4)5-7(3)12-8(9)10/h6-8H,5H2,1-4H3/t7-/m0/s1
InChIKeyXZUCAWKYYCCSNY-ZETCQYMHSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Diisopropylamino)-1,1,1-trifluoro-2-propanol
CID 2768016
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680061
N-ethyl-1,1,1,4,4,4-hexafluoro-N-(2-methoxyethyl)butan-2-amine
CID 57680075
N-[2-(2,2,2-trifluoroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680077
N-(2-methoxyethyl)-2-methyl-N-(3,3,3-trifluoropropyl)propan-2-amine
CID 59028617
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
CID 59504972
2-Methyl-4-propan-2-yl-6-(trifluoromethyl)morpholine
CID 68270830
4-Propan-2-yl-2-(trifluoromethyl)morpholine
CID 68270831
3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
CID 72309521
2-(1,1-Difluoropropan-2-yloxy)ethyl-trimethylazanium
CID 88879447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine (CID 134269818) is (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine is CC(C)N(C)C[C@H](C)OC(F)F.
What is the InChIKey of (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is XZUCAWKYYCCSNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)11(4)5-7(3)12-8(9)10/h6-8H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine?
(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 134269818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).