2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol

C13H16F4O2 — CID 79443233

IUPAC2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESOCC(CCCOCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H16F4O2/c14-12-5-1-3-10(7-12)11(8-18)4-2-6-19-9-13(15,16)17/h1,3,5,7,11,18H,2,4,6,8-9H2
InChIKeyCGNASOSVVZWPAS-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.26
Rot. Bonds7

About 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol

2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 79443233) has the molecular formula C13H16F4O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID79443233
Molecular FormulaC13H16F4O2
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC Name2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESOCC(CCCOCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H16F4O2/c14-12-5-1-3-10(7-12)11(8-18)4-2-6-19-9-13(15,16)17/h1,3,5,7,11,18H,2,4,6,8-9H2
InChIKeyCGNASOSVVZWPAS-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.26
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-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79440635
1-[1-bromo-4-(2,2,2-trifluoroethoxy)butan-2-yl]-3-fluorobenzene
CID 79433971
2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66058858
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
N-methyl-2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79416655
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79437094

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 79443233) is 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol is OCC(CCCOCC(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
The InChIKey is CGNASOSVVZWPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4O2/c14-12-5-1-3-10(7-12)11(8-18)4-2-6-19-9-13(15,16)17/h1,3,5,7,11,18H,2,4,6,8-9H2.
What are the key properties of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol?
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 280.26 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 79443233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).