N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C11H10F4N2 — CID 79503705

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFc1ccc(C(F)(F)F)cc1NC1=NCCC1
InChIInChI=1S/C11H10F4N2/c12-8-4-3-7(11(13,14)15)6-9(8)17-10-2-1-5-16-10/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyGBOVFZSYWJJMMF-UHFFFAOYSA-N
MW246.21 g/mol
LogP3.45
Rot. Bonds1

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503705) has the molecular formula C11H10F4N2 and a molecular weight of 246.21 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503705
Molecular FormulaC11H10F4N2
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFc1ccc(C(F)(F)F)cc1NC1=NCCC1
InChIInChI=1S/C11H10F4N2/c12-8-4-3-7(11(13,14)15)6-9(8)17-10-2-1-5-16-10/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyGBOVFZSYWJJMMF-UHFFFAOYSA-N
XLogP3.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79504007
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508884
3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464155
N-(2,4-difluorophenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508328
N-(4-chloro-2-fluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine bromide
CID 53352250
3-[2-fluoro-5-(trifluoromethyl)anilino]pyrazine-2-carbothioamide
CID 63037725
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
CID 113423559
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 7059302
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695312
3-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714709

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79503705) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is Fc1ccc(C(F)(F)F)cc1NC1=NCCC1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is GBOVFZSYWJJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2/c12-8-4-3-7(11(13,14)15)6-9(8)17-10-2-1-5-16-10/h3-4,6H,1-2,5H2,(H,16,17).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 246.21 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).