6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine

C26H19ClF2N2O — CID 150659230

IUPAC6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
SMILESNc1ccc2c(c1)-c1cc(Cc3cnc(OC(F)F)c(-c4cccc(Cl)c4)c3)ccc1C2
InChIInChI=1S/C26H19ClF2N2O/c27-20-3-1-2-17(12-20)24-10-16(14-31-25(24)32-26(28)29)8-15-4-5-18-11-19-6-7-21(30)13-23(19)22(18)9-15/h1-7,9-10,12-14,26H,8,11,30H2
InChIKeyJDNDLPOYFLLSBP-UHFFFAOYSA-N
MW448.90 g/mol
LogP6.75
Rot. Bonds5

About 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine

6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine (PubChem CID 150659230) has the molecular formula C26H19ClF2N2O and a molecular weight of 448.90 g/mol. Its IUPAC name is 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine.

Molecular Properties

Compound Name6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
PubChem CID150659230
Molecular FormulaC26H19ClF2N2O
Molecular Weight448.90 g/mol
Exact Mass448.12
IUPAC Name6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
SMILESNc1ccc2c(c1)-c1cc(Cc3cnc(OC(F)F)c(-c4cccc(Cl)c4)c3)ccc1C2
InChIInChI=1S/C26H19ClF2N2O/c27-20-3-1-2-17(12-20)24-10-16(14-31-25(24)32-26(28)29)8-15-4-5-18-11-19-6-7-21(30)13-23(19)22(18)9-15/h1-7,9-10,12-14,26H,8,11,30H2
InChIKeyJDNDLPOYFLLSBP-UHFFFAOYSA-N
XLogP6.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.90
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
CID 90415611
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
N'-[amino-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]amino]methanimidamide
CID 134447642
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine
CID 141416182
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine
CID 90440684
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
CID 90440708
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
1-[[5-(3-chlorophenyl)-6-(1-fluoroethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine
CID 163992119
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine?
The IUPAC name of 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine (CID 150659230) is 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine.
What is the SMILES notation for 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine?
The canonical SMILES for 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine is Nc1ccc2c(c1)-c1cc(Cc3cnc(OC(F)F)c(-c4cccc(Cl)c4)c3)ccc1C2.
What is the InChIKey of 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine?
The InChIKey is JDNDLPOYFLLSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N2O/c27-20-3-1-2-17(12-20)24-10-16(14-31-25(24)32-26(28)29)8-15-4-5-18-11-19-6-7-21(30)13-23(19)22(18)9-15/h1-7,9-10,12-14,26H,8,11,30H2.
What are the key properties of 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine?
6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine has a molecular weight of 448.90 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine is sourced from PubChem (CID 150659230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).