1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine

C9H19F2NO — CID 82005063

IUPAC1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
SMILESCCCC(COCC(F)F)NCC
InChIInChI=1S/C9H19F2NO/c1-3-5-8(12-4-2)6-13-7-9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyVCJNRQORWXOOAK-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine

1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine (PubChem CID 82005063) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
PubChem CID82005063
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
SMILESCCCC(COCC(F)F)NCC
InChIInChI=1S/C9H19F2NO/c1-3-5-8(12-4-2)6-13-7-9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyVCJNRQORWXOOAK-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

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Related Compounds

N-ethyl-1-(2-propan-2-yloxyethoxy)pentan-2-amine
CID 62042339
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
CID 103149544
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine
CID 82004838
3-(2,2-difluoroethoxy)-2-(ethylamino)propanoic acid
CID 82005662
1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine
CID 114192296
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine (CID 82005063) is 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine is CCCC(COCC(F)F)NCC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
The InChIKey is VCJNRQORWXOOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-3-5-8(12-4-2)6-13-7-9(10)11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine?
1-(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 1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 82005063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).