6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C19H17F2N — CID 139848534

IUPAC6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc(C2CCc3c(cc(F)c(C#N)c3F)C2)cc1
InChIInChI=1S/C19H17F2N/c1-2-12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-18(20)17(11-22)19(16)21/h3-6,10,14H,2,7-9H2,1H3
InChIKeyJWZIDXNPBREOHV-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.67
Rot. Bonds2

About 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139848534) has the molecular formula C19H17F2N and a molecular weight of 297.35 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139848534
Molecular FormulaC19H17F2N
Molecular Weight297.35 g/mol
Exact Mass297.13
IUPAC Name6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc(C2CCc3c(cc(F)c(C#N)c3F)C2)cc1
InChIInChI=1S/C19H17F2N/c1-2-12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-18(20)17(11-22)19(16)21/h3-6,10,14H,2,7-9H2,1H3
InChIKeyJWZIDXNPBREOHV-UHFFFAOYSA-N
XLogP4.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139848534) is 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCc1ccc(C2CCc3c(cc(F)c(C#N)c3F)C2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is JWZIDXNPBREOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N/c1-2-12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-18(20)17(11-22)19(16)21/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 297.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139848534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).