3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline

C11H10F2N2 — CID 66410010

IUPAC3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESFc1ccc(NCc2cc[nH]c2)cc1F
InChIInChI=1S/C11H10F2N2/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2
InChIKeyXMGHTPRBMFONLG-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.90
Rot. Bonds3

About 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline

3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline (PubChem CID 66410010) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline
PubChem CID66410010
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESFc1ccc(NCc2cc[nH]c2)cc1F
InChIInChI=1S/C11H10F2N2/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2
InChIKeyXMGHTPRBMFONLG-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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Related Compounds

2-fluoro-5-(1H-pyrrol-3-ylmethylamino)benzoic acid
CID 66410049
4-fluoro-3-nitro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408947
2,4,5-trifluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407239
N-benzyl-3,4-difluoroaniline
CID 21321396
4-methyl-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66410286
4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66409588
3-(difluoromethyl)-N-(1H-pyrrol-3-ylmethyl)aniline
CID 115744160
N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
CID 158715416
N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
3,4-difluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 29267990
4-(1H-pyrrol-3-ylmethylamino)benzonitrile
CID 66407609
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline?
The IUPAC name of 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline (CID 66410010) is 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline is Fc1ccc(NCc2cc[nH]c2)cc1F.
What is the InChIKey of 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline?
The InChIKey is XMGHTPRBMFONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2.
What are the key properties of 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline?
3,4-difluoro-N-(1H-pyrrol-3-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 3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline is sourced from PubChem (CID 66410010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).