(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine

C10H17F2N — CID 166888468

IUPAC(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
SMILESCC1C[C@@H](C)NC/C=C(/F)CC1F
InChIInChI=1S/C10H17F2N/c1-7-5-8(2)13-4-3-9(11)6-10(7)12/h3,7-8,10,13H,4-6H2,1-2H3/b9-3+/t7?,8-,10?/m1/s1
InChIKeyALUSQMSZZSLBMY-LVUQJNOVSA-N
MW189.25 g/mol
LogP2.59
Rot. Bonds

About (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine

(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine (PubChem CID 166888468) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine.

Molecular Properties

Compound Name(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
PubChem CID166888468
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
SMILESCC1C[C@@H](C)NC/C=C(/F)CC1F
InChIInChI=1S/C10H17F2N/c1-7-5-8(2)13-4-3-9(11)6-10(7)12/h3,7-8,10,13H,4-6H2,1-2H3/b9-3+/t7?,8-,10?/m1/s1
InChIKeyALUSQMSZZSLBMY-LVUQJNOVSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
The IUPAC name of (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine (CID 166888468) is (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine.
What is the SMILES notation for (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
The canonical SMILES for (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine is CC1C[C@@H](C)NC/C=C(/F)CC1F.
What is the InChIKey of (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
The InChIKey is ALUSQMSZZSLBMY-LVUQJNOVSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-5-8(2)13-4-3-9(11)6-10(7)12/h3,7-8,10,13H,4-6H2,1-2H3/b9-3+/t7?,8-,10?/m1/s1.
What are the key properties of (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
(2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine has a molecular weight of 189.25 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7E)-5,7-difluoro-2,4-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine is sourced from PubChem (CID 166888468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).