1,1,1-trifluoro-3-hexoxypropan-2-ol

C9H17F3O2 — CID 11042106

IUPAC1,1,1-trifluoro-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyMLUPRZKKYQJLSJ-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.51
Rot. Bonds7

About 1,1,1-trifluoro-3-hexoxypropan-2-ol

1,1,1-trifluoro-3-hexoxypropan-2-ol (PubChem CID 11042106) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-hexoxypropan-2-ol
PubChem CID11042106
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name1,1,1-trifluoro-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyMLUPRZKKYQJLSJ-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-hexoxypropane-2,2-diol
CID 44569875
2-[(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)oxy]ethanol
CID 59378527
1,3-Bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]propan-2-ol
CID 85800698
1-Ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 13204822
3-[(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)oxy]propane-1,2-diol
CID 23026186
2-Propanol, 1-(hexyloxy)-
CID 6453204
1,1,1-Trifluoro-3-(octyloxy)-2-propanol
CID 22913494
(2R)-1-fluoro-3-hexoxypropan-2-ol
CID 55250320
1-Ethoxy-2-hexanol
CID 15270320
2-Hexoxypropan-1-ol
CID 10080664
1,1,1-Trifluoro-3-(decyloxy)-2-propanol
CID 22913292
2-Ethoxy-1-hexanol
CID 15482514

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-hexoxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-hexoxypropan-2-ol (CID 11042106) is 1,1,1-trifluoro-3-hexoxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-hexoxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-hexoxypropan-2-ol is CCCCCCOCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-hexoxypropan-2-ol?
The InChIKey is MLUPRZKKYQJLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-hexoxypropan-2-ol?
1,1,1-trifluoro-3-hexoxypropan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-hexoxypropan-2-ol is sourced from PubChem (CID 11042106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).