7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile

C12H9ClFNO — CID 62379758

IUPAC7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile
SMILESCC(C)c1c(C#N)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C12H9ClFNO/c1-6(2)11-8-3-7(14)4-9(13)12(8)16-10(11)5-15/h3-4,6H,1-2H3
InChIKeyVPONGPYEADPWBC-UHFFFAOYSA-N
MW237.66 g/mol
LogP4.22
Rot. Bonds1

About 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile

7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile (PubChem CID 62379758) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile
PubChem CID62379758
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile
SMILESCC(C)c1c(C#N)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C12H9ClFNO/c1-6(2)11-8-3-7(14)4-9(13)12(8)16-10(11)5-15/h3-4,6H,1-2H3
InChIKeyVPONGPYEADPWBC-UHFFFAOYSA-N
XLogP4.22
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile
CID 62379941
7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile
CID 71417952
N-[(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377094
3-propan-2-yl-5,7-bis(trifluoromethyl)-1-benzofuran-2-carbonitrile
CID 168950597
7-bromo-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-carbonitrile
CID 63488874
7-bromo-3-tert-butyl-5-fluoro-1-benzofuran-2-carbonitrile
CID 55196375
3-tert-butyl-5,7-dichloro-1-benzofuran-2-carbonitrile
CID 63488195
N-[(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048856
5,7-dichloro-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 55068494
4-chloro-6,8-difluoro-2-oxochromene-3-carbonitrile
CID 134891915
4,5-dichlorofuran-2-carbonitrile
CID 97035114
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440366

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile?
The IUPAC name of 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile (CID 62379758) is 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile?
The canonical SMILES for 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile is CC(C)c1c(C#N)oc2c(Cl)cc(F)cc12.
What is the InChIKey of 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile?
The InChIKey is VPONGPYEADPWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-6(2)11-8-3-7(14)4-9(13)12(8)16-10(11)5-15/h3-4,6H,1-2H3.
What are the key properties of 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile?
7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile has a molecular weight of 237.66 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 62379758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).