3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole

C10H10FN — CID 145311612

IUPAC3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole
SMILESCC1=CC=c2c(F)c[nH]c2=CC1
InChIInChI=1S/C10H10FN/c1-7-2-4-8-9(11)6-12-10(8)5-3-7/h2,4-6,12H,3H2,1H3
InChIKeyQLCISUOCHHYEOB-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.06
Rot. Bonds

About 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole

3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole (PubChem CID 145311612) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole
PubChem CID145311612
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole
SMILESCC1=CC=c2c(F)c[nH]c2=CC1
InChIInChI=1S/C10H10FN/c1-7-2-4-8-9(11)6-12-10(8)5-3-7/h2,4-6,12H,3H2,1H3
InChIKeyQLCISUOCHHYEOB-UHFFFAOYSA-N
XLogP1.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole (CID 145311612) is 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole is CC1=CC=c2c(F)c[nH]c2=CC1.
What is the InChIKey of 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole?
The InChIKey is QLCISUOCHHYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-7-2-4-8-9(11)6-12-10(8)5-3-7/h2,4-6,12H,3H2,1H3.
What are the key properties of 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole?
3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole has a molecular weight of 163.19 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 145311612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).