3-(1-chloro-2,2-difluoroethyl)-9H-carbazole

C14H10ClF2N — CID 103514419

IUPAC3-(1-chloro-2,2-difluoroethyl)-9H-carbazole
SMILESFC(F)C(Cl)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C14H10ClF2N/c15-13(14(16)17)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18-12/h1-7,13-14,18H
InChIKeyKTJGKZMDTYZQPD-UHFFFAOYSA-N
MW265.69 g/mol
LogP4.87
Rot. Bonds2

About 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole

3-(1-chloro-2,2-difluoroethyl)-9H-carbazole (PubChem CID 103514419) has the molecular formula C14H10ClF2N and a molecular weight of 265.69 g/mol. Its IUPAC name is 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole.

Molecular Properties

Compound Name3-(1-chloro-2,2-difluoroethyl)-9H-carbazole
PubChem CID103514419
Molecular FormulaC14H10ClF2N
Molecular Weight265.69 g/mol
Exact Mass265.05
IUPAC Name3-(1-chloro-2,2-difluoroethyl)-9H-carbazole
SMILESFC(F)C(Cl)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C14H10ClF2N/c15-13(14(16)17)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18-12/h1-7,13-14,18H
InChIKeyKTJGKZMDTYZQPD-UHFFFAOYSA-N
XLogP4.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole?
The IUPAC name of 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole (CID 103514419) is 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole.
What is the SMILES notation for 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole?
The canonical SMILES for 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole is FC(F)C(Cl)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole?
The InChIKey is KTJGKZMDTYZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N/c15-13(14(16)17)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18-12/h1-7,13-14,18H.
What are the key properties of 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole?
3-(1-chloro-2,2-difluoroethyl)-9H-carbazole has a molecular weight of 265.69 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2,2-difluoroethyl)-9H-carbazole is sourced from PubChem (CID 103514419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).