2,3-difluoro-4-propylphenol

C9H10F2O — CID 14495704

IUPAC2,3-difluoro-4-propylphenol
SMILESCCCc1ccc(O)c(F)c1F
InChIInChI=1S/C9H10F2O/c1-2-3-6-4-5-7(12)9(11)8(6)10/h4-5,12H,2-3H2,1H3
InChIKeyIEEXNJSBAQLMAY-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.62
Rot. Bonds2

About 2,3-difluoro-4-propylphenol

2,3-difluoro-4-propylphenol (PubChem CID 14495704) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2,3-difluoro-4-propylphenol.

Molecular Properties

Compound Name2,3-difluoro-4-propylphenol
PubChem CID14495704
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2,3-difluoro-4-propylphenol
SMILESCCCc1ccc(O)c(F)c1F
InChIInChI=1S/C9H10F2O/c1-2-3-6-4-5-7(12)9(11)8(6)10/h4-5,12H,2-3H2,1H3
InChIKeyIEEXNJSBAQLMAY-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-4-hexylphenol
CID 19910978
2,3-difluoro-4-(hydroxymethyl)phenol
CID 67042893
ethane;5-fluoro-2-propylphenol
CID 143012210
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
CID 69428161
4,6-dipropylbenzene-1,3-diol
CID 70496109
(2,3-difluoro-6-hydroxy-4-propylphenyl)boronic acid
CID 141479444
4-(4-fluorophenyl)-2-propylphenol
CID 22458869
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
2,3-difluoro-4-heptylphenol;4-pentylcyclohexane-1-carboxylic acid
CID 67848202
4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
CID 134473123

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-propylphenol?
The IUPAC name of 2,3-difluoro-4-propylphenol (CID 14495704) is 2,3-difluoro-4-propylphenol.
What is the SMILES notation for 2,3-difluoro-4-propylphenol?
The canonical SMILES for 2,3-difluoro-4-propylphenol is CCCc1ccc(O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-propylphenol?
The InChIKey is IEEXNJSBAQLMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-2-3-6-4-5-7(12)9(11)8(6)10/h4-5,12H,2-3H2,1H3.
What are the key properties of 2,3-difluoro-4-propylphenol?
2,3-difluoro-4-propylphenol has a molecular weight of 172.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-propylphenol is sourced from PubChem (CID 14495704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).