3-ethyl-7,7,7-trifluoroheptan-3-ol

C9H17F3O — CID 86640092

IUPAC3-ethyl-7,7,7-trifluoroheptan-3-ol
SMILESCCC(O)(CC)CCCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-8(13,4-2)6-5-7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyVMPKTIBMTKZGKY-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.27
Rot. Bonds5

About 3-ethyl-7,7,7-trifluoroheptan-3-ol

3-ethyl-7,7,7-trifluoroheptan-3-ol (PubChem CID 86640092) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-ethyl-7,7,7-trifluoroheptan-3-ol.

Molecular Properties

Compound Name3-ethyl-7,7,7-trifluoroheptan-3-ol
PubChem CID86640092
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name3-ethyl-7,7,7-trifluoroheptan-3-ol
SMILESCCC(O)(CC)CCCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-8(13,4-2)6-5-7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyVMPKTIBMTKZGKY-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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1,1,6,6,6-pentafluorohexan-1-ol
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3-ethyl-6-ethylsulfonylhexan-3-ol
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3-ethyl-1,1,1-trifluoropentan-3-ol
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1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
CID 116535920
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
2-ethyl-7,7,7-trifluoro-3-hydroxy-2,3-dimethylheptanenitrile
CID 116536357
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
iron(3+);1,1,1-trifluoropentane
CID 161198772
7,7,7-trifluoro-3-phenylheptan-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,7,7-trifluoroheptan-3-ol?
The IUPAC name of 3-ethyl-7,7,7-trifluoroheptan-3-ol (CID 86640092) is 3-ethyl-7,7,7-trifluoroheptan-3-ol.
What is the SMILES notation for 3-ethyl-7,7,7-trifluoroheptan-3-ol?
The canonical SMILES for 3-ethyl-7,7,7-trifluoroheptan-3-ol is CCC(O)(CC)CCCC(F)(F)F.
What is the InChIKey of 3-ethyl-7,7,7-trifluoroheptan-3-ol?
The InChIKey is VMPKTIBMTKZGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-3-8(13,4-2)6-5-7-9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-7,7,7-trifluoroheptan-3-ol?
3-ethyl-7,7,7-trifluoroheptan-3-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 3-ethyl-7,7,7-trifluoroheptan-3-ol is sourced from PubChem (CID 86640092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).