2,3-difluoro-5-propylphenol;ethane

C11H16F2O — CID 143889142

IUPAC2,3-difluoro-5-propylphenol;ethane
SMILESCC.CCCc1cc(O)c(F)c(F)c1
InChIInChI=1S/C9H10F2O.C2H6/c1-2-3-6-4-7(10)9(11)8(12)5-6;1-2/h4-5,12H,2-3H2,1H3;1-2H3
InChIKeyLDCYOSSWDKBXTF-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.65
Rot. Bonds2

About 2,3-difluoro-5-propylphenol;ethane

2,3-difluoro-5-propylphenol;ethane (PubChem CID 143889142) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 2,3-difluoro-5-propylphenol;ethane.

Molecular Properties

Compound Name2,3-difluoro-5-propylphenol;ethane
PubChem CID143889142
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name2,3-difluoro-5-propylphenol;ethane
SMILESCC.CCCc1cc(O)c(F)c(F)c1
InChIInChI=1S/C9H10F2O.C2H6/c1-2-3-6-4-7(10)9(11)8(12)5-6;1-2/h4-5,12H,2-3H2,1H3;1-2H3
InChIKeyLDCYOSSWDKBXTF-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213
2-bromo-6-fluoro-4-propylphenol
CID 69428563
2,6-difluoro-4-propylaniline
CID 19781718
(2,6-difluoro-4-propylphenyl)boronic acid
CID 19783701
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854
2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
CID 69428161
5-propylbenzene-1,3-diol
CID 3083600
2-ethyl-5-propylphenol
CID 522454
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
5-(2-bromoethyl)-1,2,3-trifluorobenzene
CID 22913642
1,2-difluoro-4-propylbenzene;methane
CID 160697343

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-propylphenol;ethane?
The IUPAC name of 2,3-difluoro-5-propylphenol;ethane (CID 143889142) is 2,3-difluoro-5-propylphenol;ethane.
What is the SMILES notation for 2,3-difluoro-5-propylphenol;ethane?
The canonical SMILES for 2,3-difluoro-5-propylphenol;ethane is CC.CCCc1cc(O)c(F)c(F)c1.
What is the InChIKey of 2,3-difluoro-5-propylphenol;ethane?
The InChIKey is LDCYOSSWDKBXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O.C2H6/c1-2-3-6-4-7(10)9(11)8(12)5-6;1-2/h4-5,12H,2-3H2,1H3;1-2H3.
What are the key properties of 2,3-difluoro-5-propylphenol;ethane?
2,3-difluoro-5-propylphenol;ethane has a molecular weight of 202.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-propylphenol;ethane is sourced from PubChem (CID 143889142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).