1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol

C11H12F4O2 — CID 174556288

IUPAC1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1c(F)c(F)c(C(C)O)c(F)c1F
InChIInChI=1S/C11H12F4O2/c1-4(2)17-11-9(14)7(12)6(5(3)16)8(13)10(11)15/h4-5,16H,1-3H3
InChIKeyZZRHFHPYHJQFAC-UHFFFAOYSA-N
MW252.21 g/mol
LogP3.08
Rot. Bonds3

About 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol

1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol (PubChem CID 174556288) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol
PubChem CID174556288
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1c(F)c(F)c(C(C)O)c(F)c1F
InChIInChI=1S/C11H12F4O2/c1-4(2)17-11-9(14)7(12)6(5(3)16)8(13)10(11)15/h4-5,16H,1-3H3
InChIKeyZZRHFHPYHJQFAC-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
CID 147057196
2,3,5-trifluoro-6-methyl-4-propan-2-yloxybenzenesulfonic acid
CID 170366954
2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
CID 143612370
1-bromo-4-ethenyl-2,3,5,6-tetrafluorobenzene;1-(4-bromo-2,3,5,6-tetrafluorophenyl)ethanol
CID 158959761
1-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 88576870
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
3-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione
CID 90828844
1,3-difluoro-2-(2-methylpropyl)benzene;1,2,4,5-tetrafluoro-3-propan-2-yloxybenzene
CID 170570602
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
CID 164895831
2,3,4,5-tetrafluoro-N,N-dimethyl-6-propan-2-yloxybenzenesulfonamide
CID 155578209
1-(1-bromoethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 174395450

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol (CID 174556288) is 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1c(F)c(F)c(C(C)O)c(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol?
The InChIKey is ZZRHFHPYHJQFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-4(2)17-11-9(14)7(12)6(5(3)16)8(13)10(11)15/h4-5,16H,1-3H3.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol?
1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol has a molecular weight of 252.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 174556288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).