ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine

C6H8F9NO — CID 175042472

IUPACethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine
SMILESCCO.NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9N.C2H6O/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-2-3/h14H2;3H,2H2,1H3
InChIKeyWBTSIDLWCWKBEJ-UHFFFAOYSA-N
MW281.12 g/mol
LogP2.37
Rot. Bonds2

About ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine

ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine (PubChem CID 175042472) has the molecular formula C6H8F9NO and a molecular weight of 281.12 g/mol. Its IUPAC name is ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine.

Molecular Properties

Compound Nameethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine
PubChem CID175042472
Molecular FormulaC6H8F9NO
Molecular Weight281.12 g/mol
Exact Mass281.05
IUPAC Nameethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine
SMILESCCO.NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9N.C2H6O/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-2-3/h14H2;3H,2H2,1H3
InChIKeyWBTSIDLWCWKBEJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 151697911
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
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Frequently Asked Questions

What is the IUPAC name of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine?
The IUPAC name of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine (CID 175042472) is ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine.
What is the SMILES notation for ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine?
The canonical SMILES for ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine is CCO.NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine?
The InChIKey is WBTSIDLWCWKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9N.C2H6O/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-2-3/h14H2;3H,2H2,1H3.
What are the key properties of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine?
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine has a molecular weight of 281.12 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine is sourced from PubChem (CID 175042472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).