(6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol

C15H27F2NO2 — CID 126539878

IUPAC(6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESCC(C)CCCCN1C[C@@H](O)[C@H](O)C(C(F)F)C12CC2
InChIInChI=1S/C15H27F2NO2/c1-10(2)5-3-4-8-18-9-11(19)13(20)12(14(16)17)15(18)6-7-15/h10-14,19-20H,3-9H2,1-2H3/t11-,12?,13+/m1/s1
InChIKeyAWOKKEKCTBVHRA-YPHAAILGSA-N
MW291.38 g/mol
LogP2.26
Rot. Bonds6

About (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol

(6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 126539878) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID126539878
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name(6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESCC(C)CCCCN1C[C@@H](O)[C@H](O)C(C(F)F)C12CC2
InChIInChI=1S/C15H27F2NO2/c1-10(2)5-3-4-8-18-9-11(19)13(20)12(14(16)17)15(18)6-7-15/h10-14,19-20H,3-9H2,1-2H3/t11-,12?,13+/m1/s1
InChIKeyAWOKKEKCTBVHRA-YPHAAILGSA-N
XLogP2.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol with MolForge

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Related Compounds

US10081601, Example 3
CID 91810852
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US9796680, Example 15
CID 126501551
US10081601, Example 12
CID 118197652
US10081601, Example 13
CID 118197720
(3R,4R,5S)-5-(2,2-difluorocyclopropyl)piperidine-3,4-diol
CID 52913923
5-(2,2-Difluorocyclopropyl)piperidine-3,4-diol
CID 75631370
8-(2,2-Difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118197686
(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
CID 118199308
(6R,7R,8S)-8-[(1R)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
CID 118199309

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol (CID 126539878) is (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol is CC(C)CCCCN1C[C@@H](O)[C@H](O)C(C(F)F)C12CC2.
What is the InChIKey of (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is AWOKKEKCTBVHRA-YPHAAILGSA-N. The full InChI is InChI=1S/C15H27F2NO2/c1-10(2)5-3-4-8-18-9-11(19)13(20)12(14(16)17)15(18)6-7-15/h10-14,19-20H,3-9H2,1-2H3/t11-,12?,13+/m1/s1.
What are the key properties of (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 291.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 126539878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).