N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide

C14H13F3N2O — CID 3127171

IUPACN-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
SMILESO=CNC1CCCc2c1[nH]c1ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)8-4-5-11-10(6-8)9-2-1-3-12(18-7-20)13(9)19-11/h4-7,12,19H,1-3H2,(H,18,20)
InChIKeyHFCWDLKJKWRBPQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.31
Rot. Bonds2

About N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide

N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide (PubChem CID 3127171) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
PubChem CID3127171
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC NameN-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
SMILESO=CNC1CCCc2c1[nH]c1ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)8-4-5-11-10(6-8)9-2-1-3-12(18-7-20)13(9)19-11/h4-7,12,19H,1-3H2,(H,18,20)
InChIKeyHFCWDLKJKWRBPQ-UHFFFAOYSA-N
XLogP3.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide?
The IUPAC name of N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide (CID 3127171) is N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide?
The canonical SMILES for N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide is O=CNC1CCCc2c1[nH]c1ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide?
The InChIKey is HFCWDLKJKWRBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)8-4-5-11-10(6-8)9-2-1-3-12(18-7-20)13(9)19-11/h4-7,12,19H,1-3H2,(H,18,20).
What are the key properties of N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide?
N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide has a molecular weight of 282.26 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide is sourced from PubChem (CID 3127171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).