2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine

C5H7F6NO — CID 165349343

IUPAC2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
SMILESCCOC(N)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6NO/c1-2-13-3(12,4(6,7)8)5(9,10)11/h2,12H2,1H3
InChIKeyFXHKRJNSYDLNHL-UHFFFAOYSA-N
MW211.10 g/mol
LogP1.80
Rot. Bonds2

About 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine

2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine (PubChem CID 165349343) has the molecular formula C5H7F6NO and a molecular weight of 211.10 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine.

Molecular Properties

Compound Name2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
PubChem CID165349343
Molecular FormulaC5H7F6NO
Molecular Weight211.10 g/mol
Exact Mass211.04
IUPAC Name2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
SMILESCCOC(N)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6NO/c1-2-13-3(12,4(6,7)8)5(9,10)11/h2,12H2,1H3
InChIKeyFXHKRJNSYDLNHL-UHFFFAOYSA-N
XLogP1.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796
3-ethoxypentan-3-amine
CID 87385378
1,1-diethoxypropan-1-amine
CID 22735038
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 91447807
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
1,1-diethoxy-2,2-dimethylpropan-1-amine
CID 174896219
2-ethoxy-2-fluorobutane
CID 89114459
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124
1-ethoxy-1,1-difluoro-2-iodoethane
CID 119095748
2,2-diethoxy-2-fluoroethanol
CID 174439051

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine?
The IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine (CID 165349343) is 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine.
What is the SMILES notation for 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine?
The canonical SMILES for 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine is CCOC(N)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine?
The InChIKey is FXHKRJNSYDLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO/c1-2-13-3(12,4(6,7)8)5(9,10)11/h2,12H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine?
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine has a molecular weight of 211.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine is sourced from PubChem (CID 165349343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).