4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine

C10H14F2N2 — CID 10703191

IUPAC4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine
SMILESNc1ccc(N(CCF)CCF)cc1
InChIInChI=1S/C10H14F2N2/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,13H2
InChIKeyVDOJVIFURIUQII-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.01
Rot. Bonds5

About 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine

4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine (PubChem CID 10703191) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine
PubChem CID10703191
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine
SMILESNc1ccc(N(CCF)CCF)cc1
InChIInChI=1S/C10H14F2N2/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,13H2
InChIKeyVDOJVIFURIUQII-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine (CID 10703191) is 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine is Nc1ccc(N(CCF)CCF)cc1.
What is the InChIKey of 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine?
The InChIKey is VDOJVIFURIUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,13H2.
What are the key properties of 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine?
4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine has a molecular weight of 200.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-fluoroethyl)benzene-1,4-diamine is sourced from PubChem (CID 10703191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).