2-ethyl-3,4-difluorophenol

C8H8F2O — CID 130218632

IUPAC2-ethyl-3,4-difluorophenol
SMILESCCc1c(O)ccc(F)c1F
InChIInChI=1S/C8H8F2O/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4,11H,2H2,1H3
InChIKeyXBDSBJUGNMJNCP-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.23
Rot. Bonds1

About 2-ethyl-3,4-difluorophenol

2-ethyl-3,4-difluorophenol (PubChem CID 130218632) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-ethyl-3,4-difluorophenol.

Molecular Properties

Compound Name2-ethyl-3,4-difluorophenol
PubChem CID130218632
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name2-ethyl-3,4-difluorophenol
SMILESCCc1c(O)ccc(F)c1F
InChIInChI=1S/C8H8F2O/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4,11H,2H2,1H3
InChIKeyXBDSBJUGNMJNCP-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-ethyl-4-fluorophenol
CID 75365718
1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
CID 83876626
2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
CID 83874123
1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
CID 117280993
(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
CID 131029109
3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862998
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
2,3-diethyl-4-(trifluoromethyl)phenol
CID 150673700
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
8-ethyl-7-fluoronaphthalen-1-ol;platinum
CID 177203434

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-difluorophenol?
The IUPAC name of 2-ethyl-3,4-difluorophenol (CID 130218632) is 2-ethyl-3,4-difluorophenol.
What is the SMILES notation for 2-ethyl-3,4-difluorophenol?
The canonical SMILES for 2-ethyl-3,4-difluorophenol is CCc1c(O)ccc(F)c1F.
What is the InChIKey of 2-ethyl-3,4-difluorophenol?
The InChIKey is XBDSBJUGNMJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4,11H,2H2,1H3.
What are the key properties of 2-ethyl-3,4-difluorophenol?
2-ethyl-3,4-difluorophenol has a molecular weight of 158.15 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-difluorophenol is sourced from PubChem (CID 130218632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).