3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine

C10H10FN3 — CID 174888018

IUPAC3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine
SMILESNc1c[nH]cc1Nc1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c11-7-1-3-8(4-2-7)14-10-6-13-5-9(10)12/h1-6,13-14H,12H2
InChIKeyVLMUCCFSOSIJLH-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.48
Rot. Bonds2

About 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine

3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine (PubChem CID 174888018) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine
PubChem CID174888018
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine
SMILESNc1c[nH]cc1Nc1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c11-7-1-3-8(4-2-7)14-10-6-13-5-9(10)12/h1-6,13-14H,12H2
InChIKeyVLMUCCFSOSIJLH-UHFFFAOYSA-N
XLogP2.48
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
CID 135123549
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
2-(4-fluoroanilino)phenol
CID 82537401
2-amino-5-[[3-carboxy-4-(4-fluoroanilino)phenyl]methyl]benzoic acid
CID 25051400
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine (CID 174888018) is 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine is Nc1c[nH]cc1Nc1ccc(F)cc1.
What is the InChIKey of 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine?
The InChIKey is VLMUCCFSOSIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-7-1-3-8(4-2-7)14-10-6-13-5-9(10)12/h1-6,13-14H,12H2.
What are the key properties of 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine?
3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine has a molecular weight of 191.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1H-pyrrole-3,4-diamine is sourced from PubChem (CID 174888018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).