1,1-difluoro-2,3,4,9-tetrahydrocarbazole

C12H11F2N — CID 68954030

IUPAC1,1-difluoro-2,3,4,9-tetrahydrocarbazole
SMILESFC1(F)CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H11F2N/c13-12(14)7-3-5-9-8-4-1-2-6-10(8)15-11(9)12/h1-2,4,6,15H,3,5,7H2
InChIKeyVAOPTSCAMNLSJJ-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.60
Rot. Bonds

About 1,1-difluoro-2,3,4,9-tetrahydrocarbazole

1,1-difluoro-2,3,4,9-tetrahydrocarbazole (PubChem CID 68954030) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is 1,1-difluoro-2,3,4,9-tetrahydrocarbazole.

Molecular Properties

Compound Name1,1-difluoro-2,3,4,9-tetrahydrocarbazole
PubChem CID68954030
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name1,1-difluoro-2,3,4,9-tetrahydrocarbazole
SMILESFC1(F)CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H11F2N/c13-12(14)7-3-5-9-8-4-1-2-6-10(8)15-11(9)12/h1-2,4,6,15H,3,5,7H2
InChIKeyVAOPTSCAMNLSJJ-UHFFFAOYSA-N
XLogP3.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,3,4,9-tetrahydrocarbazole?
The IUPAC name of 1,1-difluoro-2,3,4,9-tetrahydrocarbazole (CID 68954030) is 1,1-difluoro-2,3,4,9-tetrahydrocarbazole.
What is the SMILES notation for 1,1-difluoro-2,3,4,9-tetrahydrocarbazole?
The canonical SMILES for 1,1-difluoro-2,3,4,9-tetrahydrocarbazole is FC1(F)CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 1,1-difluoro-2,3,4,9-tetrahydrocarbazole?
The InChIKey is VAOPTSCAMNLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c13-12(14)7-3-5-9-8-4-1-2-6-10(8)15-11(9)12/h1-2,4,6,15H,3,5,7H2.
What are the key properties of 1,1-difluoro-2,3,4,9-tetrahydrocarbazole?
1,1-difluoro-2,3,4,9-tetrahydrocarbazole has a molecular weight of 207.22 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,3,4,9-tetrahydrocarbazole is sourced from PubChem (CID 68954030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).