N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine

C8H17F2NO — CID 134579334

IUPACN-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine
SMILESCCNCC(F)(F)COC(C)C
InChIInChI=1S/C8H17F2NO/c1-4-11-5-8(9,10)6-12-7(2)3/h7,11H,4-6H2,1-3H3
InChIKeyNMXDSZLOUGTROD-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds6

About N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine

N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine (PubChem CID 134579334) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine
PubChem CID134579334
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine
SMILESCCNCC(F)(F)COC(C)C
InChIInChI=1S/C8H17F2NO/c1-4-11-5-8(9,10)6-12-7(2)3/h7,11H,4-6H2,1-3H3
InChIKeyNMXDSZLOUGTROD-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyethyl]propan-2-amine
CID 163656380
3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-(2,2-difluoroethyl)-2,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 58303694
2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 58303698
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
CID 83827235
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 88936096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine (CID 134579334) is N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine is CCNCC(F)(F)COC(C)C.
What is the InChIKey of N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine?
The InChIKey is NMXDSZLOUGTROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-4-11-5-8(9,10)6-12-7(2)3/h7,11H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine?
N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 134579334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).