1-(2,3,5-trifluorophenyl)propane-1,3-diamine

C9H11F3N2 — CID 130900225

IUPAC1-(2,3,5-trifluorophenyl)propane-1,3-diamine
SMILESNCCC(N)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H11F3N2/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8H,1-2,13-14H2
InChIKeyZWLBIDRBXSRJFA-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.45
Rot. Bonds3

About 1-(2,3,5-trifluorophenyl)propane-1,3-diamine

1-(2,3,5-trifluorophenyl)propane-1,3-diamine (PubChem CID 130900225) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(2,3,5-trifluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3,5-trifluorophenyl)propane-1,3-diamine
PubChem CID130900225
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name1-(2,3,5-trifluorophenyl)propane-1,3-diamine
SMILESNCCC(N)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H11F3N2/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8H,1-2,13-14H2
InChIKeyZWLBIDRBXSRJFA-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131336328
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036
4-amino-1-(2,3,5-trifluorophenyl)butane-1,2-diol
CID 171881078
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
2-bromo-6-[(1R)-1,3-diaminopropyl]-4-fluorophenol;hydrochloride
CID 171257029
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
(1S,2R)-1-amino-1-(2,3,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171268186

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trifluorophenyl)propane-1,3-diamine?
The IUPAC name of 1-(2,3,5-trifluorophenyl)propane-1,3-diamine (CID 130900225) is 1-(2,3,5-trifluorophenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2,3,5-trifluorophenyl)propane-1,3-diamine?
The canonical SMILES for 1-(2,3,5-trifluorophenyl)propane-1,3-diamine is NCCC(N)c1cc(F)cc(F)c1F.
What is the InChIKey of 1-(2,3,5-trifluorophenyl)propane-1,3-diamine?
The InChIKey is ZWLBIDRBXSRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8H,1-2,13-14H2.
What are the key properties of 1-(2,3,5-trifluorophenyl)propane-1,3-diamine?
1-(2,3,5-trifluorophenyl)propane-1,3-diamine has a molecular weight of 204.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trifluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 130900225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).