1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol

C7H2F14O — CID 71404768

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H2F14O/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,22H
InChIKeyLTXPBIMCWINHOI-UHFFFAOYSA-N
MW368.06 g/mol
LogP4.01
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol

1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol (PubChem CID 71404768) has the molecular formula C7H2F14O and a molecular weight of 368.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol
PubChem CID71404768
Molecular FormulaC7H2F14O
Molecular Weight368.06 g/mol
Exact Mass367.99
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H2F14O/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,22H
InChIKeyLTXPBIMCWINHOI-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.06
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol (CID 71404768) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol is OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol?
The InChIKey is LTXPBIMCWINHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F14O/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,22H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol?
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol has a molecular weight of 368.06 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol is sourced from PubChem (CID 71404768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).