8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol

C15H26FNO2 — CID 123446191

IUPAC8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOC1CNC2(CC2)C(C(F)CC2CCCCC2)C1O
InChIInChI=1S/C15H26FNO2/c16-11(8-10-4-2-1-3-5-10)13-14(19)12(18)9-17-15(13)6-7-15/h10-14,17-19H,1-9H2
InChIKeyRLFUZGBVFSQZHA-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.77
Rot. Bonds3

About 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol

8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 123446191) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID123446191
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Name8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOC1CNC2(CC2)C(C(F)CC2CCCCC2)C1O
InChIInChI=1S/C15H26FNO2/c16-11(8-10-4-2-1-3-5-10)13-14(19)12(18)9-17-15(13)6-7-15/h10-14,17-19H,1-9H2
InChIKeyRLFUZGBVFSQZHA-UHFFFAOYSA-N
XLogP1.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10081601, Example 3
CID 91810852
US10081601, Example 25
CID 118197625
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US10081601, Example 27
CID 118199314
US9796680, Example 15
CID 126501551
(2R,3R,4R,5S)-2-(2-cyclohexylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 166524494
US10081601, Example 1
CID 118197630
US10081601, Example 12
CID 118197652
US10081601, Example 13
CID 118197720
(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol
CID 51357037

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 123446191) is 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is OC1CNC2(CC2)C(C(F)CC2CCCCC2)C1O.
What is the InChIKey of 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is RLFUZGBVFSQZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO2/c16-11(8-10-4-2-1-3-5-10)13-14(19)12(18)9-17-15(13)6-7-15/h10-14,17-19H,1-9H2.
What are the key properties of 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 271.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclohexyl-1-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 123446191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).