6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole

C14H15F2N — CID 65335745

IUPAC6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
SMILESCC1(C)CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C14H15F2N/c1-14(2)4-3-12-10(7-14)9-5-8(15)6-11(16)13(9)17-12/h5-6,17H,3-4,7H2,1-2H3
InChIKeyBAWCYRANRYICAV-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.96
Rot. Bonds

About 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole

6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole (PubChem CID 65335745) has the molecular formula C14H15F2N and a molecular weight of 235.28 g/mol. Its IUPAC name is 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole.

Molecular Properties

Compound Name6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
PubChem CID65335745
Molecular FormulaC14H15F2N
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
SMILESCC1(C)CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C14H15F2N/c1-14(2)4-3-12-10(7-14)9-5-8(15)6-11(16)13(9)17-12/h5-6,17H,3-4,7H2,1-2H3
InChIKeyBAWCYRANRYICAV-UHFFFAOYSA-N
XLogP3.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
The IUPAC name of 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole (CID 65335745) is 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole.
What is the SMILES notation for 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
The canonical SMILES for 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole is CC1(C)CCc2[nH]c3c(F)cc(F)cc3c2C1.
What is the InChIKey of 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
The InChIKey is BAWCYRANRYICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N/c1-14(2)4-3-12-10(7-14)9-5-8(15)6-11(16)13(9)17-12/h5-6,17H,3-4,7H2,1-2H3.
What are the key properties of 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole has a molecular weight of 235.28 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole is sourced from PubChem (CID 65335745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).