7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol

C12H23F3O — CID 116535930

IUPAC7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol
SMILESCCC(CC)CC(C)(O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-4-10(5-2)9-11(3,16)7-6-8-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyCYIWXPFBGPWGNG-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.30
Rot. Bonds7

About 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol

7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol (PubChem CID 116535930) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol.

Molecular Properties

Compound Name7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol
PubChem CID116535930
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol
SMILESCCC(CC)CC(C)(O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-4-10(5-2)9-11(3,16)7-6-8-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyCYIWXPFBGPWGNG-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
CID 116535920
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 89360060
8,8,8-trifluoro-4-hydroxy-4-methyloctanoic acid
CID 116536112
6,6,6-trifluoro-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116535858
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426
6,6,6-trifluoro-3-methylhexan-3-ol
CID 64565342
3,5-diethylheptan-3-ol
CID 82929105
2,4-dimethylnonan-4-ol
CID 3018500
1,1,1-trifluoro-4-methylheptan-4-ol
CID 80558654
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 163592368

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol?
The IUPAC name of 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol (CID 116535930) is 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol.
What is the SMILES notation for 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol?
The canonical SMILES for 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol is CCC(CC)CC(C)(O)CCCC(F)(F)F.
What is the InChIKey of 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol?
The InChIKey is CYIWXPFBGPWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-4-10(5-2)9-11(3,16)7-6-8-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol?
7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol has a molecular weight of 240.31 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol is sourced from PubChem (CID 116535930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).