1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol

C10H16F7NO3 — CID 71348184

IUPAC1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol
SMILESOCCN(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F7NO3/c11-8(12,9(13,14)10(15,16)17)5-7(21)6-18(1-3-19)2-4-20/h7,19-21H,1-6H2
InChIKeySLUCZPNDVUNDLK-UHFFFAOYSA-N
MW331.23 g/mol
LogP0.86
Rot. Bonds9

About 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol

1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol (PubChem CID 71348184) has the molecular formula C10H16F7NO3 and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol
PubChem CID71348184
Molecular FormulaC10H16F7NO3
Molecular Weight331.23 g/mol
Exact Mass331.10
IUPAC Name1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol
SMILESOCCN(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F7NO3/c11-8(12,9(13,14)10(15,16)17)5-7(21)6-18(1-3-19)2-4-20/h7,19-21H,1-6H2
InChIKeySLUCZPNDVUNDLK-UHFFFAOYSA-N
XLogP0.86
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol (CID 71348184) is 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol is OCCN(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
The InChIKey is SLUCZPNDVUNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F7NO3/c11-8(12,9(13,14)10(15,16)17)5-7(21)6-18(1-3-19)2-4-20/h7,19-21H,1-6H2.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol?
1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol has a molecular weight of 331.23 g/mol, XLogP of 0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-ol is sourced from PubChem (CID 71348184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).