acetylene;2,7-difluorofluoren-9-imine;ethane

C17H15F2N — CID 143818308

IUPACacetylene;2,7-difluorofluoren-9-imine;ethane
SMILESC#C.CC.[H]N=C1c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C13H7F2N.C2H6.C2H2/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;2*1-2/h1-6,16H;1-2H3;1-2H
InChIKeyPYLGUAFZZSFMKA-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.64
Rot. Bonds

About acetylene;2,7-difluorofluoren-9-imine;ethane

acetylene;2,7-difluorofluoren-9-imine;ethane (PubChem CID 143818308) has the molecular formula C17H15F2N and a molecular weight of 271.31 g/mol. Its IUPAC name is acetylene;2,7-difluorofluoren-9-imine;ethane.

Molecular Properties

Compound Nameacetylene;2,7-difluorofluoren-9-imine;ethane
PubChem CID143818308
Molecular FormulaC17H15F2N
Molecular Weight271.31 g/mol
Exact Mass271.12
IUPAC Nameacetylene;2,7-difluorofluoren-9-imine;ethane
SMILESC#C.CC.[H]N=C1c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C13H7F2N.C2H6.C2H2/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;2*1-2/h1-6,16H;1-2H3;1-2H
InChIKeyPYLGUAFZZSFMKA-UHFFFAOYSA-N
XLogP4.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
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1-ethynyl-2-(2-ethynyl-5-fluorophenyl)-4-fluorobenzene
CID 132517082
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
2-fluoro-5,6-dimethylfluoren-9-one
CID 82579570
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
5-fluoro-2-benzofuran-1,3-dione
CID 159746884
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene
CID 174821315
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Frequently Asked Questions

What is the IUPAC name of acetylene;2,7-difluorofluoren-9-imine;ethane?
The IUPAC name of acetylene;2,7-difluorofluoren-9-imine;ethane (CID 143818308) is acetylene;2,7-difluorofluoren-9-imine;ethane.
What is the SMILES notation for acetylene;2,7-difluorofluoren-9-imine;ethane?
The canonical SMILES for acetylene;2,7-difluorofluoren-9-imine;ethane is C#C.CC.[H]N=C1c2cc(F)ccc2-c2ccc(F)cc21.
What is the InChIKey of acetylene;2,7-difluorofluoren-9-imine;ethane?
The InChIKey is PYLGUAFZZSFMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N.C2H6.C2H2/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;2*1-2/h1-6,16H;1-2H3;1-2H.
What are the key properties of acetylene;2,7-difluorofluoren-9-imine;ethane?
acetylene;2,7-difluorofluoren-9-imine;ethane has a molecular weight of 271.31 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,7-difluorofluoren-9-imine;ethane is sourced from PubChem (CID 143818308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).