11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C16H10FN7O — CID 22348365

IUPAC11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESFc1ccccc1Cc1nc2c3nn(-c4ccco4)nc3ncn2n1
InChIInChI=1S/C16H10FN7O/c17-11-5-2-1-4-10(11)8-12-19-16-14-15(18-9-23(16)20-12)22-24(21-14)13-6-3-7-25-13/h1-7,9H,8H2
InChIKeyPLCGDJAGORUFBV-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.18
Rot. Bonds3

About 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 22348365) has the molecular formula C16H10FN7O and a molecular weight of 335.30 g/mol. Its IUPAC name is 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID22348365
Molecular FormulaC16H10FN7O
Molecular Weight335.30 g/mol
Exact Mass335.09
IUPAC Name11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESFc1ccccc1Cc1nc2c3nn(-c4ccco4)nc3ncn2n1
InChIInChI=1S/C16H10FN7O/c17-11-5-2-1-4-10(11)8-12-19-16-14-15(18-9-23(16)20-12)22-24(21-14)13-6-3-7-25-13/h1-7,9H,8H2
InChIKeyPLCGDJAGORUFBV-UHFFFAOYSA-N
XLogP2.18
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene with MolForge

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Related Compounds

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CID 82566740
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine
CID 91287110
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
2-[(2-fluorophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135034
6-fluoro-9-(furan-2-yl)purine
CID 54765814
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
CID 62748248
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153617
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800

Frequently Asked Questions

What is the IUPAC name of 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 22348365) is 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Fc1ccccc1Cc1nc2c3nn(-c4ccco4)nc3ncn2n1.
What is the InChIKey of 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is PLCGDJAGORUFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN7O/c17-11-5-2-1-4-10(11)8-12-19-16-14-15(18-9-23(16)20-12)22-24(21-14)13-6-3-7-25-13/h1-7,9H,8H2.
What are the key properties of 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 335.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 22348365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).