7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine

C15H12Cl3N — CID 4997367

IUPAC7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine
SMILESClCN(CCl)c1ccc2c(c1)Cc1cc(Cl)ccc1-2
InChIInChI=1S/C15H12Cl3N/c16-8-19(9-17)13-2-4-15-11(7-13)5-10-6-12(18)1-3-14(10)15/h1-4,6-7H,5,8-9H2
InChIKeyPZJGCPANOGOPEL-UHFFFAOYSA-N
MW312.63 g/mol
LogP5.11
Rot. Bonds3

About 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine

7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine (PubChem CID 4997367) has the molecular formula C15H12Cl3N and a molecular weight of 312.63 g/mol. Its IUPAC name is 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine.

Molecular Properties

Compound Name7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine
PubChem CID4997367
Molecular FormulaC15H12Cl3N
Molecular Weight312.63 g/mol
Exact Mass311.00
IUPAC Name7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine
SMILESClCN(CCl)c1ccc2c(c1)Cc1cc(Cl)ccc1-2
InChIInChI=1S/C15H12Cl3N/c16-8-19(9-17)13-2-4-15-11(7-13)5-10-6-12(18)1-3-14(10)15/h1-4,6-7H,5,8-9H2
InChIKeyPZJGCPANOGOPEL-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.63
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine?
The IUPAC name of 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine (CID 4997367) is 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine.
What is the SMILES notation for 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine?
The canonical SMILES for 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine is ClCN(CCl)c1ccc2c(c1)Cc1cc(Cl)ccc1-2.
What is the InChIKey of 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine?
The InChIKey is PZJGCPANOGOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N/c16-8-19(9-17)13-2-4-15-11(7-13)5-10-6-12(18)1-3-14(10)15/h1-4,6-7H,5,8-9H2.
What are the key properties of 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine?
7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine has a molecular weight of 312.63 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine is sourced from PubChem (CID 4997367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).