1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile

C11H10FNO2 — CID 84779376

IUPAC1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C2(C#N)CC2)c(O)c(F)c1O
InChIInChI=1S/C11H10FNO2/c1-6-4-7(11(5-13)2-3-11)10(15)8(12)9(6)14/h4,14-15H,2-3H2,1H3
InChIKeyMRWCQIQUZMDGED-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.10
Rot. Bonds1

About 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile

1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 84779376) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID84779376
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C2(C#N)CC2)c(O)c(F)c1O
InChIInChI=1S/C11H10FNO2/c1-6-4-7(11(5-13)2-3-11)10(15)8(12)9(6)14/h4,14-15H,2-3H2,1H3
InChIKeyMRWCQIQUZMDGED-UHFFFAOYSA-N
XLogP2.10
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile (CID 84779376) is 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile is Cc1cc(C2(C#N)CC2)c(O)c(F)c1O.
What is the InChIKey of 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is MRWCQIQUZMDGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-6-4-7(11(5-13)2-3-11)10(15)8(12)9(6)14/h4,14-15H,2-3H2,1H3.
What are the key properties of 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 207.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84779376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).