5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine

C9H19F2NO — CID 82004961

IUPAC5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCOCC(F)F
InChIInChI=1S/C9H19F2NO/c1-3-12-8(2)5-4-6-13-7-9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyDUXCSDKZUVCQGW-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds8

About 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine

5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine (PubChem CID 82004961) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
PubChem CID82004961
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCOCC(F)F
InChIInChI=1S/C9H19F2NO/c1-3-12-8(2)5-4-6-13-7-9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyDUXCSDKZUVCQGW-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
N-propan-2-yl-2-(trifluoromethyl)oxolan-2-amine
CID 146476259
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[(4-fluorooxan-4-yl)methyl]propan-2-amine
CID 149234668

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine (CID 82004961) is 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine is CCNC(C)CCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
The InChIKey is DUXCSDKZUVCQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-3-12-8(2)5-4-6-13-7-9(10)11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 82004961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).