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

C7HF15O — CID 22160290

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23/h23H
InChIKeyXCWMATKNFUWXCN-UHFFFAOYSA-N
MW386.05 g/mol
LogP4.31
Rot. Bonds5

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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol (PubChem CID 22160290) has the molecular formula C7HF15O and a molecular weight of 386.05 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol
PubChem CID22160290
Molecular FormulaC7HF15O
Molecular Weight386.05 g/mol
Exact Mass385.98
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23/h23H
InChIKeyXCWMATKNFUWXCN-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.05
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol with MolForge

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Related Compounds

Heptadecafluorooctan-1-ol
CID 14571268
Tridecafluorohexan-1-ol
CID 17957376
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Nonacosafluorotetradecan-1-ol
CID 20977797
1,1,2,2,3,3,4,4,5,5,6,6,7,7-Tetradecafluoroheptan-1-ol
CID 71404768
Perfluoro-1-decanol
CID 158857
Nonadecafluorononan-1-ol
CID 22168959
Pentacosafluoro-1-dodecanol
CID 54201338
Perfluorononadecanol
CID 87961737
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-1,8-octanediol
CID 18457467
Perfluorooctylethanol
CID 86756383
Perfluorohexylethanol
CID 87139997
Perfluorooctyl-propyl alcohol
CID 87401623

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol (CID 22160290) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol is OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol?
The InChIKey is XCWMATKNFUWXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF15O/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23/h23H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol has a molecular weight of 386.05 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-1-ol is sourced from PubChem (CID 22160290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).