2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine

C22H15F6N — CID 150875981

IUPAC2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine
SMILESNc1c2c(c(C(F)(F)F)c(C(F)(F)F)c1Cc1ccccc1)-c1ccccc1C2
InChIInChI=1S/C22H15F6N/c23-21(24,25)18-16(10-12-6-2-1-3-7-12)20(29)15-11-13-8-4-5-9-14(13)17(15)19(18)22(26,27)28/h1-9H,10-11,29H2
InChIKeyKVAAPEPLDFWCKN-UHFFFAOYSA-N
MW407.36 g/mol
LogP6.47
Rot. Bonds2

About 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine

2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine (PubChem CID 150875981) has the molecular formula C22H15F6N and a molecular weight of 407.36 g/mol. Its IUPAC name is 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine.

Molecular Properties

Compound Name2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine
PubChem CID150875981
Molecular FormulaC22H15F6N
Molecular Weight407.36 g/mol
Exact Mass407.11
IUPAC Name2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine
SMILESNc1c2c(c(C(F)(F)F)c(C(F)(F)F)c1Cc1ccccc1)-c1ccccc1C2
InChIInChI=1S/C22H15F6N/c23-21(24,25)18-16(10-12-6-2-1-3-7-12)20(29)15-11-13-8-4-5-9-14(13)17(15)19(18)22(26,27)28/h1-9H,10-11,29H2
InChIKeyKVAAPEPLDFWCKN-UHFFFAOYSA-N
XLogP6.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.36
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluorene-1,2,3,4-tetramine
CID 67197336
1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 154487763
4-[(2-benzyl-9H-fluoren-1-yl)methyl]phenol
CID 151052174
4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
CID 150703659
4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene
CID 150894186
4-[2-(3-amino-9H-fluoren-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-9H-fluoren-3-amine
CID 172819040
3-benzyl-9H-fluorene
CID 57310019
4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
CID 141324145
1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole
CID 175076817
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
4-chloro-9H-fluoren-1-amine
CID 86060029
2-[5-(trifluoromethyl)-2-pyridinyl]-9H-fluoren-1-amine
CID 152703566

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine?
The IUPAC name of 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine (CID 150875981) is 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine.
What is the SMILES notation for 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine?
The canonical SMILES for 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine is Nc1c2c(c(C(F)(F)F)c(C(F)(F)F)c1Cc1ccccc1)-c1ccccc1C2.
What is the InChIKey of 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine?
The InChIKey is KVAAPEPLDFWCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N/c23-21(24,25)18-16(10-12-6-2-1-3-7-12)20(29)15-11-13-8-4-5-9-14(13)17(15)19(18)22(26,27)28/h1-9H,10-11,29H2.
What are the key properties of 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine?
2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine has a molecular weight of 407.36 g/mol, XLogP of 6.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine is sourced from PubChem (CID 150875981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).