1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol

C10H17F3O2 — CID 63354833

IUPAC1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESOC(CCCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3O2/c11-10(12,13)7-15-6-2-1-3-9(14)8-4-5-8/h8-9,14H,1-7H2
InChIKeyWIOVOQLSTVAHIM-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.51
Rot. Bonds7

About 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol

1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 63354833) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID63354833
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESOC(CCCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3O2/c11-10(12,13)7-15-6-2-1-3-9(14)8-4-5-8/h8-9,14H,1-7H2
InChIKeyWIOVOQLSTVAHIM-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
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

2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
CID 139607930
5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
CID 113326892
1-cyclobutyl-5,5,5-trifluoropentan-1-ol
CID 115515676
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
CID 115003111
1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62600415
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491061
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 103150962
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The IUPAC name of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 63354833) is 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol.
What is the SMILES notation for 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The canonical SMILES for 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol is OC(CCCCOCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The InChIKey is WIOVOQLSTVAHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c11-10(12,13)7-15-6-2-1-3-9(14)8-4-5-8/h8-9,14H,1-7H2.
What are the key properties of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 226.24 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-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 63354833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).