5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol

C12H12F6O2 — CID 115515453

IUPAC5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H12F6O2/c13-11(14,15)7-3-5-9(19)8-4-1-2-6-10(8)20-12(16,17)18/h1-2,4,6,9,19H,3,5,7H2
InChIKeyFKFZRBVFODPRIX-UHFFFAOYSA-N
MW302.21 g/mol
LogP4.35
Rot. Bonds5

About 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol

5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol (PubChem CID 115515453) has the molecular formula C12H12F6O2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
PubChem CID115515453
Molecular FormulaC12H12F6O2
Molecular Weight302.21 g/mol
Exact Mass302.07
IUPAC Name5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H12F6O2/c13-11(14,15)7-3-5-9(19)8-4-1-2-6-10(8)20-12(16,17)18/h1-2,4,6,9,19H,3,5,7H2
InChIKeyFKFZRBVFODPRIX-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-[2-(trifluoromethoxy)phenyl]hex-4-yn-1-ol
CID 104809460
3-methylsulfonyl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
CID 65148158
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
CID 105092807
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol (CID 115515453) is 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol is OC(CCCC(F)(F)F)c1ccccc1OC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
The InChIKey is FKFZRBVFODPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O2/c13-11(14,15)7-3-5-9(19)8-4-1-2-6-10(8)20-12(16,17)18/h1-2,4,6,9,19H,3,5,7H2.
What are the key properties of 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 115515453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).