1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol

C10H10F4O2 — CID 103289730

IUPAC1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
SMILESCCC(O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H10F4O2/c1-2-5(15)4-16-10-8(13)6(11)3-7(12)9(10)14/h3,5,15H,2,4H2,1H3
InChIKeyJXXNVIHRWBACAW-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.39
Rot. Bonds4

About 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol

1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol (PubChem CID 103289730) has the molecular formula C10H10F4O2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
PubChem CID103289730
Molecular FormulaC10H10F4O2
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
SMILESCCC(O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H10F4O2/c1-2-5(15)4-16-10-8(13)6(11)3-7(12)9(10)14/h3,5,15H,2,4H2,1H3
InChIKeyJXXNVIHRWBACAW-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.39
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

1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 103289374
2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
CID 22134602
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
methyl 4-hydroxy-3-methyl-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 145399399
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
ethyl 2-(ethylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103290033
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
3-[2-(bromomethyl)-3,3-dimethylbutoxy]-1,2,4,5-tetrafluorobenzene
CID 103289405
methyl 2-(propylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103289999

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol?
The IUPAC name of 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol (CID 103289730) is 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol.
What is the SMILES notation for 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol?
The canonical SMILES for 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol is CCC(O)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol?
The InChIKey is JXXNVIHRWBACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2/c1-2-5(15)4-16-10-8(13)6(11)3-7(12)9(10)14/h3,5,15H,2,4H2,1H3.
What are the key properties of 1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol?
1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol has a molecular weight of 238.18 g/mol, XLogP of 2.39, 4 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-tetrafluorophenoxy)butan-2-ol is sourced from PubChem (CID 103289730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).