1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine

C11H12F4N2 — CID 55011299

IUPAC1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESNc1ccc(N(CC(F)(F)F)C2CC2)c(F)c1
InChIInChI=1S/C11H12F4N2/c12-9-5-7(16)1-4-10(9)17(8-2-3-8)6-11(13,14)15/h1,4-5,8H,2-3,6,16H2
InChIKeyHFWPCFJCNJAMET-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.94
Rot. Bonds3

About 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine

1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (PubChem CID 55011299) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
PubChem CID55011299
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESNc1ccc(N(CC(F)(F)F)C2CC2)c(F)c1
InChIInChI=1S/C11H12F4N2/c12-9-5-7(16)1-4-10(9)17(8-2-3-8)6-11(13,14)15/h1,4-5,8H,2-3,6,16H2
InChIKeyHFWPCFJCNJAMET-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55236190
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 116735744
1-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorophenyl]ethanone
CID 55010756
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 60891924
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
5-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492568
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-fluorobenzoic acid
CID 55010433
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzonitrile
CID 107933624
2-bromo-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarbothioamide
CID 107534949
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methylbenzonitrile
CID 55008751

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (CID 55011299) is 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is Nc1ccc(N(CC(F)(F)F)C2CC2)c(F)c1.
What is the InChIKey of 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The InChIKey is HFWPCFJCNJAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c12-9-5-7(16)1-4-10(9)17(8-2-3-8)6-11(13,14)15/h1,4-5,8H,2-3,6,16H2.
What are the key properties of 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine has a molecular weight of 248.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is sourced from PubChem (CID 55011299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).