7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile

C8H6FNO — CID 89167321

IUPAC7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile
SMILESN#CC1=CC=CC(O)C=C1F
InChIInChI=1S/C8H6FNO/c9-8-4-7(11)3-1-2-6(8)5-10/h1-4,7,11H
InChIKeyANFPCYWYXLUYGI-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.22
Rot. Bonds

About 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile

7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile (PubChem CID 89167321) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile.

Molecular Properties

Compound Name7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile
PubChem CID89167321
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile
SMILESN#CC1=CC=CC(O)C=C1F
InChIInChI=1S/C8H6FNO/c9-8-4-7(11)3-1-2-6(8)5-10/h1-4,7,11H
InChIKeyANFPCYWYXLUYGI-UHFFFAOYSA-N
XLogP1.22
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile?
The IUPAC name of 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile (CID 89167321) is 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile.
What is the SMILES notation for 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile?
The canonical SMILES for 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile is N#CC1=CC=CC(O)C=C1F.
What is the InChIKey of 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile?
The InChIKey is ANFPCYWYXLUYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-8-4-7(11)3-1-2-6(8)5-10/h1-4,7,11H.
What are the key properties of 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile?
7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile has a molecular weight of 151.14 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile is sourced from PubChem (CID 89167321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).