4-(trifluoromethyl)octan-4-ol

C9H17F3O — CID 89097510

IUPAC4-(trifluoromethyl)octan-4-ol
SMILESCCCCC(O)(CCC)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-5-7-8(13,6-4-2)9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyGYIYVCDOMGQVIQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.27
Rot. Bonds5

About 4-(trifluoromethyl)octan-4-ol

4-(trifluoromethyl)octan-4-ol (PubChem CID 89097510) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(trifluoromethyl)octan-4-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)octan-4-ol
PubChem CID89097510
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name4-(trifluoromethyl)octan-4-ol
SMILESCCCCC(O)(CCC)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-5-7-8(13,6-4-2)9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyGYIYVCDOMGQVIQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4,4-bis(trifluoromethyl)octane
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1,1,1,2,2,3,3-heptafluoro-4-methyloctan-4-ol
CID 154267693
5,5-difluorononane
CID 21410163
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
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CID 175455322
(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
iron(3+);1,1,1-trifluoropentane
CID 161198772
9-fluoropentacosan-9-ol
CID 139794548
3-butyl-2,2-difluoro-3-hydroxyoctanethioic S-acid
CID 19598281
3-methyl-3-(trifluoromethyl)heptane
CID 142541633

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)octan-4-ol?
The IUPAC name of 4-(trifluoromethyl)octan-4-ol (CID 89097510) is 4-(trifluoromethyl)octan-4-ol.
What is the SMILES notation for 4-(trifluoromethyl)octan-4-ol?
The canonical SMILES for 4-(trifluoromethyl)octan-4-ol is CCCCC(O)(CCC)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)octan-4-ol?
The InChIKey is GYIYVCDOMGQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-3-5-7-8(13,6-4-2)9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of 4-(trifluoromethyl)octan-4-ol?
4-(trifluoromethyl)octan-4-ol has a molecular weight of 198.23 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)octan-4-ol is sourced from PubChem (CID 89097510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).