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

C9H13F7O — CID 154267693

IUPAC1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
SMILESCCCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7O/c1-3-4-5-6(2,17)7(10,11)8(12,13)9(14,15)16/h17H,3-5H2,1-2H3
InChIKeyUUNYMLYKHVQCCP-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.76
Rot. Bonds5

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

1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol (PubChem CID 154267693) has the molecular formula C9H13F7O and a molecular weight of 270.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
PubChem CID154267693
Molecular FormulaC9H13F7O
Molecular Weight270.19 g/mol
Exact Mass270.09
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
SMILESCCCCC(C)(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7O/c1-3-4-5-6(2,17)7(10,11)8(12,13)9(14,15)16/h17H,3-5H2,1-2H3
InChIKeyUUNYMLYKHVQCCP-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.76
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-methylheptan-4-ol
CID 150244186
1,1,1,2,2-pentafluoro-3-methylnonan-3-ol
CID 154220543
(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
CID 151697911
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1-bromo-1,1-difluoro-2-methylnonan-2-ol
CID 107140562
1-bromo-1,1-difluoro-2-methyloctan-2-ol
CID 107140438
4-(trifluoromethyl)octan-4-ol
CID 89097510
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylhexadecan-8-ol
CID 162348371
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
CID 151241914
gold;2-methylhexan-2-ol
CID 18513333

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol (CID 154267693) is 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol is CCCCC(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-methyloctan-4-ol?
The InChIKey is UUNYMLYKHVQCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7O/c1-3-4-5-6(2,17)7(10,11)8(12,13)9(14,15)16/h17H,3-5H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol?
1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol has a molecular weight of 270.19 g/mol, XLogP of 3.76, 5 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-methyloctan-4-ol is sourced from PubChem (CID 154267693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).