2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine

C9H11F3N2 — CID 134507065

IUPAC2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1cc(F)c(N)c(F)c1F
InChIInChI=1S/C9H11F3N2/c1-4(2)14-6-3-5(10)9(13)8(12)7(6)11/h3-4,14H,13H2,1-2H3
InChIKeyWTCPQLBRCOMDSF-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.51
Rot. Bonds2

About 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine

2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 134507065) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID134507065
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1cc(F)c(N)c(F)c1F
InChIInChI=1S/C9H11F3N2/c1-4(2)14-6-3-5(10)9(13)8(12)7(6)11/h3-4,14H,13H2,1-2H3
InChIKeyWTCPQLBRCOMDSF-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine (CID 134507065) is 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)Nc1cc(F)c(N)c(F)c1F.
What is the InChIKey of 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is WTCPQLBRCOMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-4(2)14-6-3-5(10)9(13)8(12)7(6)11/h3-4,14H,13H2,1-2H3.
What are the key properties of 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine?
2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 204.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 134507065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).