N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine

C12H16F4N2 — CID 64552293

IUPACN'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
SMILESNCCCN(CCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C12H16F4N2/c13-10-2-4-11(5-3-10)18(8-1-7-17)9-6-12(14,15)16/h2-5H,1,6-9,17H2
InChIKeyBTAWQUKNLIJIOI-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.93
Rot. Bonds6

About N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine

N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine (PubChem CID 64552293) has the molecular formula C12H16F4N2 and a molecular weight of 264.27 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
PubChem CID64552293
Molecular FormulaC12H16F4N2
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC NameN'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
SMILESNCCCN(CCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C12H16F4N2/c13-10-2-4-11(5-3-10)18(8-1-7-17)9-6-12(14,15)16/h2-5H,1,6-9,17H2
InChIKeyBTAWQUKNLIJIOI-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 43136052
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
CID 28770757
N,N-dibutyl-4-fluoroaniline
CID 15399711
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
3-[N-(3-aminopropyl)-4-fluoroanilino]-N-cyclopropylpropanamide
CID 62627730
4-fluoro-N,N-dioctylaniline
CID 91747748
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine (CID 64552293) is N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine is NCCCN(CCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
The InChIKey is BTAWQUKNLIJIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2/c13-10-2-4-11(5-3-10)18(8-1-7-17)9-6-12(14,15)16/h2-5H,1,6-9,17H2.
What are the key properties of N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine has a molecular weight of 264.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine is sourced from PubChem (CID 64552293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).