(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine

C9H15F2N — CID 155313300

IUPAC(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine
SMILESC/C1=C/CCC(C(F)F)CCN1
InChIInChI=1S/C9H15F2N/c1-7-3-2-4-8(9(10)11)5-6-12-7/h3,8-9,12H,2,4-6H2,1H3/b7-3-
InChIKeyBJWSUOJJCWSNGA-CLTKARDFSA-N
MW175.22 g/mol
LogP2.55
Rot. Bonds1

About (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine

(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine (PubChem CID 155313300) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine.

Molecular Properties

Compound Name(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine
PubChem CID155313300
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine
SMILESC/C1=C/CCC(C(F)F)CCN1
InChIInChI=1S/C9H15F2N/c1-7-3-2-4-8(9(10)11)5-6-12-7/h3,8-9,12H,2,4-6H2,1H3/b7-3-
InChIKeyBJWSUOJJCWSNGA-CLTKARDFSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine with MolForge

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Related Compounds

N-(2-ethylhexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 117695513
6-Methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 126694523
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
CID 145350547
(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine
CID 155082561
N-methyl-4-(trifluoromethyl)cyclohexen-1-amine
CID 156424034
(1E,3S,4E)-1-N-ethyl-7-fluoro-1-N,4-N,3,6-tetramethylcyclonona-1,4-diene-1,4-diamine
CID 163881628
(4R,6R)-2,6-difluoro-4-methyl-N-propylcyclohexen-1-amine
CID 164104051
5-fluoro-N,3-dimethylcyclohexen-1-amine
CID 170185936
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
N-ethyl-3-[(1R,5R)-2-fluoro-4,4,5-trimethylcyclopent-2-en-1-yl]but-1-en-2-amine
CID 173817515
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620

Frequently Asked Questions

What is the IUPAC name of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?
The IUPAC name of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine (CID 155313300) is (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine.
What is the SMILES notation for (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?
The canonical SMILES for (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine is C/C1=C/CCC(C(F)F)CCN1.
What is the InChIKey of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?
The InChIKey is BJWSUOJJCWSNGA-CLTKARDFSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7-3-2-4-8(9(10)11)5-6-12-7/h3,8-9,12H,2,4-6H2,1H3/b7-3-.
What are the key properties of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?
(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine has a molecular weight of 175.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine is sourced from PubChem (CID 155313300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).