2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol

C17H15F5O3 — CID 174256185

IUPAC2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
SMILESCC(O)COc1ccc(C(c2ccc(O)c(F)c2)C(F)(F)F)cc1F
InChIInChI=1S/C17H15F5O3/c1-9(23)8-25-15-5-3-11(7-13(15)19)16(17(20,21)22)10-2-4-14(24)12(18)6-10/h2-7,9,16,23-24H,8H2,1H3
InChIKeyJLZSFXVHFHPIDX-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.12
Rot. Bonds5

About 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol

2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol (PubChem CID 174256185) has the molecular formula C17H15F5O3 and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
PubChem CID174256185
Molecular FormulaC17H15F5O3
Molecular Weight362.29 g/mol
Exact Mass362.09
IUPAC Name2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
SMILESCC(O)COc1ccc(C(c2ccc(O)c(F)c2)C(F)(F)F)cc1F
InChIInChI=1S/C17H15F5O3/c1-9(23)8-25-15-5-3-11(7-13(15)19)16(17(20,21)22)10-2-4-14(24)12(18)6-10/h2-7,9,16,23-24H,8H2,1H3
InChIKeyJLZSFXVHFHPIDX-UHFFFAOYSA-N
XLogP4.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol
CID 156853269
2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
CID 3047826
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol
CID 146177386
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-2-methylpropanamide
CID 113389494

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol?
The IUPAC name of 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol (CID 174256185) is 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol is CC(O)COc1ccc(C(c2ccc(O)c(F)c2)C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol?
The InChIKey is JLZSFXVHFHPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5O3/c1-9(23)8-25-15-5-3-11(7-13(15)19)16(17(20,21)22)10-2-4-14(24)12(18)6-10/h2-7,9,16,23-24H,8H2,1H3.
What are the key properties of 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol?
2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol has a molecular weight of 362.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol is sourced from PubChem (CID 174256185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).