1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole

C11H13F2N — CID 164655464

IUPAC1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole
SMILESFC1(F)C2CC(Cn3cccc3)CC21
InChIInChI=1S/C11H13F2N/c12-11(13)9-5-8(6-10(9)11)7-14-3-1-2-4-14/h1-4,8-10H,5-7H2
InChIKeyNMUQHLIVIWDTEB-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.78
Rot. Bonds2

About 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole

1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole (PubChem CID 164655464) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole.

Molecular Properties

Compound Name1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole
PubChem CID164655464
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole
SMILESFC1(F)C2CC(Cn3cccc3)CC21
InChIInChI=1S/C11H13F2N/c12-11(13)9-5-8(6-10(9)11)7-14-3-1-2-4-14/h1-4,8-10H,5-7H2
InChIKeyNMUQHLIVIWDTEB-UHFFFAOYSA-N
XLogP2.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole?
The IUPAC name of 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole (CID 164655464) is 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole.
What is the SMILES notation for 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole?
The canonical SMILES for 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole is FC1(F)C2CC(Cn3cccc3)CC21.
What is the InChIKey of 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole?
The InChIKey is NMUQHLIVIWDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-11(13)9-5-8(6-10(9)11)7-14-3-1-2-4-14/h1-4,8-10H,5-7H2.
What are the key properties of 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole?
1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole has a molecular weight of 197.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole is sourced from PubChem (CID 164655464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).