7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine

C13H18FN — CID 91218244

IUPAC7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
SMILESCC(C)N1CCC2=C(C=CC(F)=CC2)C1
InChIInChI=1S/C13H18FN/c1-10(2)15-8-7-11-3-5-13(14)6-4-12(11)9-15/h4-6,10H,3,7-9H2,1-2H3
InChIKeySUPHYHKJPMAEDO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.21
Rot. Bonds1

About 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine

7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine (PubChem CID 91218244) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
PubChem CID91218244
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
SMILESCC(C)N1CCC2=C(C=CC(F)=CC2)C1
InChIInChI=1S/C13H18FN/c1-10(2)15-8-7-11-3-5-13(14)6-4-12(11)9-15/h4-6,10H,3,7-9H2,1-2H3
InChIKeySUPHYHKJPMAEDO-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine (CID 91218244) is 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine is CC(C)N1CCC2=C(C=CC(F)=CC2)C1.
What is the InChIKey of 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine?
The InChIKey is SUPHYHKJPMAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(2)15-8-7-11-3-5-13(14)6-4-12(11)9-15/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine?
7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine has a molecular weight of 207.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 91218244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).