5-(3,3,3-trifluoropropoxy)pentan-2-ol

C8H15F3O2 — CID 82958309

IUPAC5-(3,3,3-trifluoropropoxy)pentan-2-ol
SMILESCC(O)CCCOCCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-7(12)3-2-5-13-6-4-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyOHBNABNJQGRIGB-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.12
Rot. Bonds6

About 5-(3,3,3-trifluoropropoxy)pentan-2-ol

5-(3,3,3-trifluoropropoxy)pentan-2-ol (PubChem CID 82958309) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)pentan-2-ol.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)pentan-2-ol
PubChem CID82958309
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name5-(3,3,3-trifluoropropoxy)pentan-2-ol
SMILESCC(O)CCCOCCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-7(12)3-2-5-13-6-4-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyOHBNABNJQGRIGB-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.12
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

5-(3,3-dimethylbutoxy)pentan-2-ol
CID 66227654
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
22-butoxydocosan-2-ol
CID 88608244
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
4-(1,5-dibutoxy-3-methylpentan-3-yl)oxybutan-2-ol
CID 175058110
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
1,1,1-trifluoro-7-methoxyheptan-4-ol
CID 65091968

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxy)pentan-2-ol?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)pentan-2-ol (CID 82958309) is 5-(3,3,3-trifluoropropoxy)pentan-2-ol.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)pentan-2-ol?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)pentan-2-ol is CC(O)CCCOCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)pentan-2-ol?
The InChIKey is OHBNABNJQGRIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-7(12)3-2-5-13-6-4-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 5-(3,3,3-trifluoropropoxy)pentan-2-ol?
5-(3,3,3-trifluoropropoxy)pentan-2-ol has a molecular weight of 200.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)pentan-2-ol is sourced from PubChem (CID 82958309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).