N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine

C18H10ClF3N2 — CID 10831481

IUPACN-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine
SMILESFc1ccc(Nn2c3cc(F)ccc3c3ccc(F)cc32)c(Cl)c1
InChIInChI=1S/C18H10ClF3N2/c19-15-7-10(20)3-6-16(15)23-24-17-8-11(21)1-4-13(17)14-5-2-12(22)9-18(14)24/h1-9,23H
InChIKeyMZLGRSOHSAJGSS-UHFFFAOYSA-N
MW346.74 g/mol
LogP5.74
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine

N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine (PubChem CID 10831481) has the molecular formula C18H10ClF3N2 and a molecular weight of 346.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine
PubChem CID10831481
Molecular FormulaC18H10ClF3N2
Molecular Weight346.74 g/mol
Exact Mass346.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine
SMILESFc1ccc(Nn2c3cc(F)ccc3c3ccc(F)cc32)c(Cl)c1
InChIInChI=1S/C18H10ClF3N2/c19-15-7-10(20)3-6-16(15)23-24-17-8-11(21)1-4-13(17)14-5-2-12(22)9-18(14)24/h1-9,23H
InChIKeyMZLGRSOHSAJGSS-UHFFFAOYSA-N
XLogP5.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.74
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine (CID 10831481) is N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine is Fc1ccc(Nn2c3cc(F)ccc3c3ccc(F)cc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine?
The InChIKey is MZLGRSOHSAJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2/c19-15-7-10(20)3-6-16(15)23-24-17-8-11(21)1-4-13(17)14-5-2-12(22)9-18(14)24/h1-9,23H.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine?
N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine has a molecular weight of 346.74 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2,7-difluorocarbazol-9-amine is sourced from PubChem (CID 10831481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).