1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C14H20F4N2 — CID 107520567

IUPAC1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C14H20F4N2/c1-3-8-20(9-14(16,17)18)10(2)13(19)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9,19H2,1-2H3
InChIKeyISEKRXOAOYBBGP-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.49
Rot. Bonds6

About 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 107520567) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID107520567
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C14H20F4N2/c1-3-8-20(9-14(16,17)18)10(2)13(19)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9,19H2,1-2H3
InChIKeyISEKRXOAOYBBGP-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine 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

1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520564
2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine
CID 107520436
1-(4-ethylphenyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 60890609
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55021776
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 107520567) is 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CC(F)(F)F)C(C)C(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is ISEKRXOAOYBBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-3-8-20(9-14(16,17)18)10(2)13(19)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9,19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 292.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 107520567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).