3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole

C10H11ClF3N — CID 169117756

IUPAC3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole
SMILESC=Cc1[nH]c(C(F)C(C)(C)F)c(Cl)c1F
InChIInChI=1S/C10H11ClF3N/c1-4-5-7(12)6(11)8(15-5)9(13)10(2,3)14/h4,9,15H,1H2,2-3H3
InChIKeyMOXYCEZDPCLZKE-UHFFFAOYSA-N
MW237.65 g/mol
LogP4.21
Rot. Bonds3

About 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole

3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole (PubChem CID 169117756) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole.

Molecular Properties

Compound Name3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole
PubChem CID169117756
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole
SMILESC=Cc1[nH]c(C(F)C(C)(C)F)c(Cl)c1F
InChIInChI=1S/C10H11ClF3N/c1-4-5-7(12)6(11)8(15-5)9(13)10(2,3)14/h4,9,15H,1H2,2-3H3
InChIKeyMOXYCEZDPCLZKE-UHFFFAOYSA-N
XLogP4.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole
CID 54428261
2,5-ditert-butyl-3,4-difluoro-1H-pyrrole
CID 71141817
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1H-pyrrole
CID 90392957
2-[(3-chloro-2-fluorophenyl)methyl]-5-methyl-1H-pyrrole
CID 90396879
5-chloro-2-[2-ethyl-5-methyl-4-(4-methylhexa-1,3-dienyl)-1H-pyrrol-3-yl]-3,6-difluoropyridine
CID 123248447
3-chloro-5-fluoro-2-(4-methylnonan-4-yl)-1H-pyrrole
CID 146377549
2-tert-butyl-3-chloro-5-fluoro-1H-pyrrole
CID 146377554
3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole
CID 146392569
3-chloro-2-ethyl-5-fluoro-1H-pyrrole
CID 146392571
5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole
CID 150656150
N-[[4-chloro-5-(3,3-difluorocyclopentyl)-3-fluoro-1H-pyrrol-2-yl]methylidene]ethanimidamide
CID 170064654
CID 172337738
CID 172337738

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole?
The IUPAC name of 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole (CID 169117756) is 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole.
What is the SMILES notation for 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole?
The canonical SMILES for 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole is C=Cc1[nH]c(C(F)C(C)(C)F)c(Cl)c1F.
What is the InChIKey of 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole?
The InChIKey is MOXYCEZDPCLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-4-5-7(12)6(11)8(15-5)9(13)10(2,3)14/h4,9,15H,1H2,2-3H3.
What are the key properties of 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole?
3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole has a molecular weight of 237.65 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1,2-difluoro-2-methylpropyl)-5-ethenyl-4-fluoro-1H-pyrrole is sourced from PubChem (CID 169117756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).