[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol

C14H15F3N2O — CID 69130167

IUPAC[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol
SMILESNC1(CO)CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)8-1-2-11-9(5-8)10-6-13(18,7-20)4-3-12(10)19-11/h1-2,5,19-20H,3-4,6-7,18H2
InChIKeyBMGASLJZJNBOAR-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.37
Rot. Bonds1

About [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol

[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol (PubChem CID 69130167) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol
PubChem CID69130167
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol
SMILESNC1(CO)CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)8-1-2-11-9(5-8)10-6-13(18,7-20)4-3-12(10)19-11/h1-2,5,19-20H,3-4,6-7,18H2
InChIKeyBMGASLJZJNBOAR-UHFFFAOYSA-N
XLogP2.37
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol?
The IUPAC name of [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol (CID 69130167) is [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol.
What is the SMILES notation for [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol?
The canonical SMILES for [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol is NC1(CO)CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1.
What is the InChIKey of [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol?
The InChIKey is BMGASLJZJNBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)8-1-2-11-9(5-8)10-6-13(18,7-20)4-3-12(10)19-11/h1-2,5,19-20H,3-4,6-7,18H2.
What are the key properties of [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol?
[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol has a molecular weight of 284.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol is sourced from PubChem (CID 69130167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).