1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol

C8H11F7O — CID 150244186

IUPAC1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
SMILESCCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7O/c1-3-4-5(2,16)6(9,10)7(11,12)8(13,14)15/h16H,3-4H2,1-2H3
InChIKeyFYDUIJFYHYUDEL-UHFFFAOYSA-N
MW256.16 g/mol
LogP3.37
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol

1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol (PubChem CID 150244186) has the molecular formula C8H11F7O and a molecular weight of 256.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
PubChem CID150244186
Molecular FormulaC8H11F7O
Molecular Weight256.16 g/mol
Exact Mass256.07
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
SMILESCCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F7O/c1-3-4-5(2,16)6(9,10)7(11,12)8(13,14)15/h16H,3-4H2,1-2H3
InChIKeyFYDUIJFYHYUDEL-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
CID 154267693
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
CID 151697911
1,1,1,2,2-pentafluoro-3-methylnonan-3-ol
CID 154220543
(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-2-ol
CID 14007658
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
3-(aminomethyl)-3,4-dimethylheptan-4-ol
CID 80560039
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylhexadecan-8-ol
CID 162348371
1,1,1-trifluoro-4-methylheptan-4-ol
CID 80558654
4-(trifluoromethyl)octan-4-ol
CID 89097510
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol (CID 150244186) is 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol is CCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol?
The InChIKey is FYDUIJFYHYUDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7O/c1-3-4-5(2,16)6(9,10)7(11,12)8(13,14)15/h16H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol?
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol has a molecular weight of 256.16 g/mol, XLogP of 3.37, 4 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-heptafluoro-4-methylheptan-4-ol is sourced from PubChem (CID 150244186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).