4-(2,2-difluoropropyl)-1-methylazocane

C11H21F2N — CID 154553887

IUPAC4-(2,2-difluoropropyl)-1-methylazocane
SMILESCN1CCCCC(CC(C)(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-11(12,13)9-10-5-3-4-7-14(2)8-6-10/h10H,3-9H2,1-2H3
InChIKeyYVBNANPCUQXQTL-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds2

About 4-(2,2-difluoropropyl)-1-methylazocane

4-(2,2-difluoropropyl)-1-methylazocane (PubChem CID 154553887) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-1-methylazocane.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-1-methylazocane
PubChem CID154553887
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4-(2,2-difluoropropyl)-1-methylazocane
SMILESCN1CCCCC(CC(C)(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-11(12,13)9-10-5-3-4-7-14(2)8-6-10/h10H,3-9H2,1-2H3
InChIKeyYVBNANPCUQXQTL-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-1-methylazocane?
The IUPAC name of 4-(2,2-difluoropropyl)-1-methylazocane (CID 154553887) is 4-(2,2-difluoropropyl)-1-methylazocane.
What is the SMILES notation for 4-(2,2-difluoropropyl)-1-methylazocane?
The canonical SMILES for 4-(2,2-difluoropropyl)-1-methylazocane is CN1CCCCC(CC(C)(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoropropyl)-1-methylazocane?
The InChIKey is YVBNANPCUQXQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-11(12,13)9-10-5-3-4-7-14(2)8-6-10/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropyl)-1-methylazocane?
4-(2,2-difluoropropyl)-1-methylazocane has a molecular weight of 205.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-1-methylazocane is sourced from PubChem (CID 154553887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).