2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline

C11H10F2N2 — CID 62339580

IUPAC2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESFc1cccc(NCc2ccc[nH]2)c1F
InChIInChI=1S/C11H10F2N2/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1-6,14-15H,7H2
InChIKeyHNFNPZFMBCPXGK-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.90
Rot. Bonds3

About 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline

2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62339580) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62339580
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESFc1cccc(NCc2ccc[nH]2)c1F
InChIInChI=1S/C11H10F2N2/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1-6,14-15H,7H2
InChIKeyHNFNPZFMBCPXGK-UHFFFAOYSA-N
XLogP2.90
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62339580) is 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline is Fc1cccc(NCc2ccc[nH]2)c1F.
What is the InChIKey of 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is HNFNPZFMBCPXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1-6,14-15H,7H2.
What are the key properties of 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 208.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62339580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).