2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine

C9H19F2NO — CID 84720540

IUPAC2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCC(COC(F)F)C(C)(C)C
InChIInChI=1S/C9H19F2NO/c1-9(2,3)7(5-12-4)6-13-8(10)11/h7-8,12H,5-6H2,1-4H3
InChIKeyKSWWIMOHDXFDAM-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.11
Rot. Bonds5

About 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine

2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 84720540) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine
PubChem CID84720540
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCC(COC(F)F)C(C)(C)C
InChIInChI=1S/C9H19F2NO/c1-9(2,3)7(5-12-4)6-13-8(10)11/h7-8,12H,5-6H2,1-4H3
InChIKeyKSWWIMOHDXFDAM-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62531075
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62693282
N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723328
N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724329
2,2-dimethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725136
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 64569520
4-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 80365759
2,2-dimethyl-N-(2-methylpropyl)-3-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792087
N,3,3-trimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139389
2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83141493
2,3,3-trimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 83144040

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine (CID 84720540) is 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine is CNCC(COC(F)F)C(C)(C)C.
What is the InChIKey of 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is KSWWIMOHDXFDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-9(2,3)7(5-12-4)6-13-8(10)11/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine?
2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 84720540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).