1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol

C12H17F9O — CID 14764840

IUPAC1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol
SMILESCCCCCCCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9O/c1-2-3-4-5-6-7-8(22)9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3
InChIKeyUURKBNXZEIUWQO-UHFFFAOYSA-N
MW348.25 g/mol
LogP5.18
Rot. Bonds9

About 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol

1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol (PubChem CID 14764840) has the molecular formula C12H17F9O and a molecular weight of 348.25 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol
PubChem CID14764840
Molecular FormulaC12H17F9O
Molecular Weight348.25 g/mol
Exact Mass348.11
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol
SMILESCCCCCCCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9O/c1-2-3-4-5-6-7-8(22)9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3
InChIKeyUURKBNXZEIUWQO-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.25
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol (CID 14764840) is 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol is CCCCCCCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol?
The InChIKey is UURKBNXZEIUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F9O/c1-2-3-4-5-6-7-8(22)9(13,14)10(15,16)11(17,18)12(19,20)21/h8,22H,2-7H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol?
1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol has a molecular weight of 348.25 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluorododecan-5-ol is sourced from PubChem (CID 14764840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).