4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine

C9H20FNO — CID 107443596

IUPAC4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine
SMILESCCOCC(F)C(CN)C(C)C
InChIInChI=1S/C9H20FNO/c1-4-12-6-9(10)8(5-11)7(2)3/h7-9H,4-6,11H2,1-3H3
InChIKeyNRFHQMWGUDMEFM-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.59
Rot. Bonds6

About 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine

4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine (PubChem CID 107443596) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine
PubChem CID107443596
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine
SMILESCCOCC(F)C(CN)C(C)C
InChIInChI=1S/C9H20FNO/c1-4-12-6-9(10)8(5-11)7(2)3/h7-9H,4-6,11H2,1-3H3
InChIKeyNRFHQMWGUDMEFM-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62505910
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CID 62529348
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CID 62530130
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CID 62530732
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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine?
The IUPAC name of 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine (CID 107443596) is 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine is CCOCC(F)C(CN)C(C)C.
What is the InChIKey of 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine?
The InChIKey is NRFHQMWGUDMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-4-12-6-9(10)8(5-11)7(2)3/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine?
4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).