9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole

C21H16F3N — CID 91058956

IUPAC9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(Cc3c(F)ccc(F)c3F)ccc21
InChIInChI=1S/C21H16F3N/c1-2-25-19-6-4-3-5-14(19)15-11-13(7-10-20(15)25)12-16-17(22)8-9-18(23)21(16)24/h3-11H,2,12H2,1H3
InChIKeySZKFJWXZFNLVEP-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.82
Rot. Bonds3

About 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole

9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole (PubChem CID 91058956) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
PubChem CID91058956
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(Cc3c(F)ccc(F)c3F)ccc21
InChIInChI=1S/C21H16F3N/c1-2-25-19-6-4-3-5-14(19)15-11-13(7-10-20(15)25)12-16-17(22)8-9-18(23)21(16)24/h3-11H,2,12H2,1H3
InChIKeySZKFJWXZFNLVEP-UHFFFAOYSA-N
XLogP5.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine
CID 22664263
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537699
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
10-[(9-ethylcarbazol-3-yl)methyl]imidazo[1,2-f]phenanthridine
CID 59358485
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
CID 23989157
4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine
CID 69354629
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole?
The IUPAC name of 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole (CID 91058956) is 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole is CCn1c2ccccc2c2cc(Cc3c(F)ccc(F)c3F)ccc21.
What is the InChIKey of 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole?
The InChIKey is SZKFJWXZFNLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c1-2-25-19-6-4-3-5-14(19)15-11-13(7-10-20(15)25)12-16-17(22)8-9-18(23)21(16)24/h3-11H,2,12H2,1H3.
What are the key properties of 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole?
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole has a molecular weight of 339.36 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole is sourced from PubChem (CID 91058956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).