1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine

C9H8F4N2 — CID 129016941

IUPAC1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine
SMILESC=C(N)Nc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F4N2/c1-5(14)15-8-3-6(9(11,12)13)2-7(10)4-8/h2-4,15H,1,14H2
InChIKeyKARJMRRTPBPSLO-UHFFFAOYSA-N
MW220.17 g/mol
LogP2.69
Rot. Bonds2

About 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine

1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine (PubChem CID 129016941) has the molecular formula C9H8F4N2 and a molecular weight of 220.17 g/mol. Its IUPAC name is 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine
PubChem CID129016941
Molecular FormulaC9H8F4N2
Molecular Weight220.17 g/mol
Exact Mass220.06
IUPAC Name1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine
SMILESC=C(N)Nc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F4N2/c1-5(14)15-8-3-6(9(11,12)13)2-7(10)4-8/h2-4,15H,1,14H2
InChIKeyKARJMRRTPBPSLO-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 16755222
N-[1-[4-(2-ethylbutyl)piperidin-1-yl]ethenyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 126762379
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
CID 54761409
2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid
CID 59319365
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
(3aR,4R,7S,7aS)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 72882345
2-fluoro-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide
CID 152665029
3-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445340
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
4-N-[3-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 143080923
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 65491424
tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate
CID 142403499

Frequently Asked Questions

What is the IUPAC name of 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine (CID 129016941) is 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine is C=C(N)Nc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine?
The InChIKey is KARJMRRTPBPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2/c1-5(14)15-8-3-6(9(11,12)13)2-7(10)4-8/h2-4,15H,1,14H2.
What are the key properties of 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine?
1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine has a molecular weight of 220.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[3-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine is sourced from PubChem (CID 129016941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).