(4-ethyl-2,3,5,6-tetrafluorophenyl)methanol

C9H8F4O — CID 12944010

IUPAC(4-ethyl-2,3,5,6-tetrafluorophenyl)methanol
SMILESCCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C9H8F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h14H,2-3H2,1H3
InChIKeyZZJWSUCMJBOMGX-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.30
Rot. Bonds2

About (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol

(4-ethyl-2,3,5,6-tetrafluorophenyl)methanol (PubChem CID 12944010) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol.

Molecular Properties

Compound Name(4-ethyl-2,3,5,6-tetrafluorophenyl)methanol
PubChem CID12944010
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name(4-ethyl-2,3,5,6-tetrafluorophenyl)methanol
SMILESCCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C9H8F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h14H,2-3H2,1H3
InChIKeyZZJWSUCMJBOMGX-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol?
The IUPAC name of (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol (CID 12944010) is (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol.
What is the SMILES notation for (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol?
The canonical SMILES for (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol is CCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol?
The InChIKey is ZZJWSUCMJBOMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h14H,2-3H2,1H3.
What are the key properties of (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol?
(4-ethyl-2,3,5,6-tetrafluorophenyl)methanol has a molecular weight of 208.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3,5,6-tetrafluorophenyl)methanol is sourced from PubChem (CID 12944010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).