8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole

C13H13F2NO — CID 135002782

IUPAC8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole
SMILESFC(F)Oc1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H13F2NO/c14-13(15)17-11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h3,5,7,13,16H,1-2,4,6H2
InChIKeyVUNZYLUVOLEPOS-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.65
Rot. Bonds2

About 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole

8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 135002782) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID135002782
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole
SMILESFC(F)Oc1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H13F2NO/c14-13(15)17-11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h3,5,7,13,16H,1-2,4,6H2
InChIKeyVUNZYLUVOLEPOS-UHFFFAOYSA-N
XLogP3.65
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382776
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351701
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
N-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)formamide
CID 174983433
3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole
CID 176573600
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382730
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole (CID 135002782) is 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole is FC(F)Oc1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is VUNZYLUVOLEPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-13(15)17-11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h3,5,7,13,16H,1-2,4,6H2.
What are the key properties of 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole?
8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 237.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 135002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).