(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole

C6H6FN — CID 177159990

IUPAC(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C\F
InChIInChI=1S/C6H6FN/c1-5-6(4-7)2-3-8-5/h2-4,8H,1H2/b6-4+
InChIKeyRDICDMMGAXFWOP-GQCTYLIASA-N
MW111.12 g/mol
LogP0.13
Rot. Bonds

About (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole

(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole (PubChem CID 177159990) has the molecular formula C6H6FN and a molecular weight of 111.12 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole
PubChem CID177159990
Molecular FormulaC6H6FN
Molecular Weight111.12 g/mol
Exact Mass111.05
IUPAC Name(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C\F
InChIInChI=1S/C6H6FN/c1-5-6(4-7)2-3-8-5/h2-4,8H,1H2/b6-4+
InChIKeyRDICDMMGAXFWOP-GQCTYLIASA-N
XLogP0.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 20094660
(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine
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(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole
CID 170065429
CID 139244220
CID 139244220
4-(fluoromethylidene)-1H-pyridine
CID 21626993
2,3-dimethylidene-1H-pyrrole
CID 23571380
1H-cyclopenta[b]pyrrole
CID 53671131
2,3-dimethanidylidene-1H-pyrrole;yttrium
CID 58632004
2,3-bis(ethenylidene)-1H-pyrrole
CID 89376327
(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine
CID 143058861
(3Z)-2-methylidene-3-prop-2-enylidene-1H-pyrrole
CID 144011918
ethane;(E)-(3-methylidene-1H-pyrrol-2-ylidene)methanamine
CID 144420384

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole?
The IUPAC name of (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole (CID 177159990) is (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole?
The canonical SMILES for (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole is C=c1[nH]cc/c1=C\F.
What is the InChIKey of (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole?
The InChIKey is RDICDMMGAXFWOP-GQCTYLIASA-N. The full InChI is InChI=1S/C6H6FN/c1-5-6(4-7)2-3-8-5/h2-4,8H,1H2/b6-4+.
What are the key properties of (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole?
(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole has a molecular weight of 111.12 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole is sourced from PubChem (CID 177159990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).