1,1,1-trifluoro-5-methyloctan-3-ol

C9H17F3O — CID 62607846

IUPAC1,1,1-trifluoro-5-methyloctan-3-ol
SMILESCCCC(C)CC(O)CC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-4-7(2)5-8(13)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyVJEVFCYSJUFIJP-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.13
Rot. Bonds5

About 1,1,1-trifluoro-5-methyloctan-3-ol

1,1,1-trifluoro-5-methyloctan-3-ol (PubChem CID 62607846) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyloctan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyloctan-3-ol
PubChem CID62607846
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name1,1,1-trifluoro-5-methyloctan-3-ol
SMILESCCCC(C)CC(O)CC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-4-7(2)5-8(13)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyVJEVFCYSJUFIJP-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyloctan-3-ol
CID 19931017
2,2,4,8-tetramethylundecan-6-ol
CID 115789018
(3S)-1,1,1-trifluoro-5-sulfanylhexan-3-ol
CID 162604616
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
4,10-dimethyltridecan-7-ol
CID 10633137
1,1,1-trifluorododecan-3-ol
CID 62606550
4-methyl-1-propylsulfanylheptan-2-ol
CID 65130129
1-ethoxy-5-methyloctan-3-ol
CID 105089791
1,1,1-trifluorohept-5-yn-3-ol
CID 62311577
3,6-dimethylnonan-4-ol
CID 56626033
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyloctan-3-ol?
The IUPAC name of 1,1,1-trifluoro-5-methyloctan-3-ol (CID 62607846) is 1,1,1-trifluoro-5-methyloctan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-methyloctan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-5-methyloctan-3-ol is CCCC(C)CC(O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methyloctan-3-ol?
The InChIKey is VJEVFCYSJUFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-3-4-7(2)5-8(13)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methyloctan-3-ol?
1,1,1-trifluoro-5-methyloctan-3-ol has a molecular weight of 198.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyloctan-3-ol is sourced from PubChem (CID 62607846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).