1,1,1,2,2-pentafluoro-3-methylnonan-3-ol

C10H17F5O — CID 154220543

IUPAC1,1,1,2,2-pentafluoro-3-methylnonan-3-ol
SMILESCCCCCCC(C)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O/c1-3-4-5-6-7-8(2,16)9(11,12)10(13,14)15/h16H,3-7H2,1-2H3
InChIKeyADWYHSXUIFVVPV-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.91
Rot. Bonds6

About 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol

1,1,1,2,2-pentafluoro-3-methylnonan-3-ol (PubChem CID 154220543) has the molecular formula C10H17F5O and a molecular weight of 248.23 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-methylnonan-3-ol
PubChem CID154220543
Molecular FormulaC10H17F5O
Molecular Weight248.23 g/mol
Exact Mass248.12
IUPAC Name1,1,1,2,2-pentafluoro-3-methylnonan-3-ol
SMILESCCCCCCC(C)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O/c1-3-4-5-6-7-8(2,16)9(11,12)10(13,14)15/h16H,3-7H2,1-2H3
InChIKeyADWYHSXUIFVVPV-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.91
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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Related Compounds

1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
CID 154267693
(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
1-bromo-1,1-difluoro-2-methyloctan-2-ol
CID 107140438
1-bromo-1,1-difluoro-2-methylnonan-2-ol
CID 107140562
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
CID 151241914
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
9-fluoropentacosan-9-ol
CID 139794548
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylhexadecan-8-ol
CID 162348371
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol (CID 154220543) is 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol is CCCCCCC(C)(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol?
The InChIKey is ADWYHSXUIFVVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O/c1-3-4-5-6-7-8(2,16)9(11,12)10(13,14)15/h16H,3-7H2,1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-methylnonan-3-ol?
1,1,1,2,2-pentafluoro-3-methylnonan-3-ol has a molecular weight of 248.23 g/mol, XLogP of 3.91, 6 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-pentafluoro-3-methylnonan-3-ol is sourced from PubChem (CID 154220543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).