4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol

C11H11F5O2 — CID 59024475

IUPAC4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol
SMILESOCC(CC(F)(F)C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C11H11F5O2/c12-10(13,11(14,15)16)6-9(7-17)18-8-4-2-1-3-5-8/h1-5,9,17H,6-7H2
InChIKeyHUQSXQIIEKIEFN-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.01
Rot. Bonds5

About 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol

4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol (PubChem CID 59024475) has the molecular formula C11H11F5O2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol
PubChem CID59024475
Molecular FormulaC11H11F5O2
Molecular Weight270.20 g/mol
Exact Mass270.07
IUPAC Name4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol
SMILESOCC(CC(F)(F)C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C11H11F5O2/c12-10(13,11(14,15)16)6-9(7-17)18-8-4-2-1-3-5-8/h1-5,9,17H,6-7H2
InChIKeyHUQSXQIIEKIEFN-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-phenoxypropan-1-ol
CID 154118183
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
hydroxymethoxy(phenoxy)methanol
CID 143884409
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
(2R)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenoxy]-3-phenylpropan-1-ol
CID 87605122
4-(1-hydroxy-3-phenoxypropan-2-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 11709805
trifluoromethoxybenzene
CID 157402708
2-(3-chlorophenoxy)propane-1,3-diol
CID 137319969
(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
CID 129408269
2-phenoxy-2-(N-phenylanilino)ethanol
CID 139622957
3-hydroxy-2-phenoxypropanamide
CID 91367159

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol (CID 59024475) is 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol is OCC(CC(F)(F)C(F)(F)F)Oc1ccccc1.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol?
The InChIKey is HUQSXQIIEKIEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O2/c12-10(13,11(14,15)16)6-9(7-17)18-8-4-2-1-3-5-8/h1-5,9,17H,6-7H2.
What are the key properties of 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol?
4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol has a molecular weight of 270.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-2-phenoxypentan-1-ol is sourced from PubChem (CID 59024475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).