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

C8H17F2NO — CID 170412531

IUPAC2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCC(F)(F)CN(C)C
InChIInChI=1S/C8H17F2NO/c1-7(2)12-6-8(9,10)5-11(3)4/h7H,5-6H2,1-4H3
InChIKeyWOESTGMSMRHJLG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.61
Rot. Bonds5

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

2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine (PubChem CID 170412531) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine
PubChem CID170412531
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCC(F)(F)CN(C)C
InChIInChI=1S/C8H17F2NO/c1-7(2)12-6-8(9,10)5-11(3)4/h7H,5-6H2,1-4H3
InChIKeyWOESTGMSMRHJLG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
2-(1,1-Difluoropropan-2-yloxy)ethyl-trimethylazanium
CID 88879447
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine
CID 130418395
N-propyl-N-(2,2,2-trifluoro-1-methoxyethyl)propan-1-amine
CID 140129727
ethane;N-ethyl-N-methyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 144385214
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine
CID 145366155
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784
N-(3-fluoropropyl)-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 156376188
N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 156847023

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine (CID 170412531) is 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine is CC(C)OCC(F)(F)CN(C)C.
What is the InChIKey of 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is WOESTGMSMRHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(2)12-6-8(9,10)5-11(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine?
2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 170412531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).