4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole

C9H9ClFN — CID 123370247

IUPAC4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole
SMILESC=C(C=c1c(Cl)c[nH]c1=C)CF
InChIInChI=1S/C9H9ClFN/c1-6(4-11)3-8-7(2)12-5-9(8)10/h3,5,12H,1-2,4H2
InChIKeyUMLWCYVHXIKSMC-UHFFFAOYSA-N
MW185.63 g/mol
LogP1.38
Rot. Bonds2

About 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole

4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole (PubChem CID 123370247) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole
PubChem CID123370247
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole
SMILESC=C(C=c1c(Cl)c[nH]c1=C)CF
InChIInChI=1S/C9H9ClFN/c1-6(4-11)3-8-7(2)12-5-9(8)10/h3,5,12H,1-2,4H2
InChIKeyUMLWCYVHXIKSMC-UHFFFAOYSA-N
XLogP1.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-chloro-5-fluoro-5,6-dihydro-1H-indole
CID 68343085
(Z)-chloro-[(3E)-3-(1-fluoroprop-2-enylidene)-1H-pyrrol-2-ylidene]methanamine
CID 88880540
(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine
CID 118311911
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
3-[4-chloro-3-(2-fluoroethylidene)-1H-pyrrol-2-ylidene]propan-1-amine
CID 123657771
(2Z,3Z)-3-but-3-en-2-ylidene-2-(1-fluoroethylidene)-1H-pyrrole
CID 144346676
(2Z)-2-(1-fluoro-2-methylprop-2-enylidene)-3-methylidene-1H-pyrrole
CID 145117775
3-But-3-enyl-6-chloro-5-fluoro-1,7-dihydrocyclohepta[b]pyrrole
CID 145640921
(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole
CID 154678389
(Z)-3-fluoro-2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]prop-2-en-1-amine
CID 164045024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole?
The IUPAC name of 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole (CID 123370247) is 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole.
What is the SMILES notation for 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole?
The canonical SMILES for 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole is C=C(C=c1c(Cl)c[nH]c1=C)CF.
What is the InChIKey of 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole?
The InChIKey is UMLWCYVHXIKSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c1-6(4-11)3-8-7(2)12-5-9(8)10/h3,5,12H,1-2,4H2.
What are the key properties of 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole?
4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole has a molecular weight of 185.63 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(fluoromethyl)prop-2-enylidene]-2-methylidene-1H-pyrrole is sourced from PubChem (CID 123370247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).