1,6-difluorocyclohexa-2,4-diene-1-carbonitrile

C7H5F2N — CID 23160350

IUPAC1,6-difluorocyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1(F)C=CC=CC1F
InChIInChI=1S/C7H5F2N/c8-6-3-1-2-4-7(6,9)5-10/h1-4,6H
InChIKeyBWXIEWKKLQVTFA-UHFFFAOYSA-N
MW141.12 g/mol
LogP1.68
Rot. Bonds

About 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile

1,6-difluorocyclohexa-2,4-diene-1-carbonitrile (PubChem CID 23160350) has the molecular formula C7H5F2N and a molecular weight of 141.12 g/mol. Its IUPAC name is 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name1,6-difluorocyclohexa-2,4-diene-1-carbonitrile
PubChem CID23160350
Molecular FormulaC7H5F2N
Molecular Weight141.12 g/mol
Exact Mass141.04
IUPAC Name1,6-difluorocyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1(F)C=CC=CC1F
InChIInChI=1S/C7H5F2N/c8-6-3-1-2-4-7(6,9)5-10/h1-4,6H
InChIKeyBWXIEWKKLQVTFA-UHFFFAOYSA-N
XLogP1.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

m-Difluoro-benzonitrile
CID 129733126
1,3,5-Trifluorocyclohexa-2,4-diene-1-carbonitrile
CID 17856687
1,2-Difluorocyclohexa-2,5-diene-1-carbonitrile
CID 17877308
1,3-Difluorocyclohexa-2,5-diene-1-carbonitrile
CID 18407276
2-[3-(trifluoromethyl)-9aH-benzo[7]annulen-7-yl]acetonitrile
CID 19915677
3,4-Difluorocyclohexa-1,5-diene-1,4-dicarbonitrile
CID 22463469
2,6-Difluorocyclohexa-1,4-diene-1-carbonitrile
CID 57095327
4-Fluorocyclohexa-2,4-diene-1-carbonitrile
CID 58039812
2-Fluorocyclohexa-2,4-diene-1-carbonitrile
CID 68244663
2,4-Difluorocyclohexa-1,3-diene-1-carbonitrile
CID 68371730
1-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 68544415
5-(Difluoromethyl)-5-fluorocyclohexa-1,3-diene-1-carbonitrile
CID 68721035

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile (CID 23160350) is 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile is N#CC1(F)C=CC=CC1F.
What is the InChIKey of 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is BWXIEWKKLQVTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N/c8-6-3-1-2-4-7(6,9)5-10/h1-4,6H.
What are the key properties of 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile?
1,6-difluorocyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 141.12 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorocyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 23160350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).