2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol

C17H15F5O2 — CID 3047826

IUPAC2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC(c1ccc(O)c(F)c1)C(CC(F)(F)F)c1ccc(O)c(F)c1
InChIInChI=1S/C17H15F5O2/c1-9(10-2-4-15(23)13(18)6-10)12(8-17(20,21)22)11-3-5-16(24)14(19)7-11/h2-7,9,12,23-24H,8H2,1H3
InChIKeyPRRSFMGODMUPJN-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.22
Rot. Bonds4

About 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol

2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol (PubChem CID 3047826) has the molecular formula C17H15F5O2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
PubChem CID3047826
Molecular FormulaC17H15F5O2
Molecular Weight346.30 g/mol
Exact Mass346.10
IUPAC Name2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC(c1ccc(O)c(F)c1)C(CC(F)(F)F)c1ccc(O)c(F)c1
InChIInChI=1S/C17H15F5O2/c1-9(10-2-4-15(23)13(18)6-10)12(8-17(20,21)22)11-3-5-16(24)14(19)7-11/h2-7,9,12,23-24H,8H2,1H3
InChIKeyPRRSFMGODMUPJN-UHFFFAOYSA-N
XLogP5.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
CID 13147086
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
4-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-fluorophenol
CID 131542060
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
CID 174256185
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
The IUPAC name of 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol (CID 3047826) is 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol is CC(c1ccc(O)c(F)c1)C(CC(F)(F)F)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
The InChIKey is PRRSFMGODMUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5O2/c1-9(10-2-4-15(23)13(18)6-10)12(8-17(20,21)22)11-3-5-16(24)14(19)7-11/h2-7,9,12,23-24H,8H2,1H3.
What are the key properties of 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol?
2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol has a molecular weight of 346.30 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol is sourced from PubChem (CID 3047826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).