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

C15H26FNO2 — CID 126506764

IUPAC(6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@@H]1[C@@H]([C@H](F)CC2CCCCC2)C2(CC2)NC[C@H]1O
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/t11-,12-,13-,14+/m1/s1
InChIKeyRLFUZGBVFSQZHA-SYQHCUMBSA-N
MW271.38 g/mol
LogP1.77
Rot. Bonds3

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

(6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 126506764) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
PubChem CID126506764
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Name(6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@@H]1[C@@H]([C@H](F)CC2CCCCC2)C2(CC2)NC[C@H]1O
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/t11-,12-,13-,14+/m1/s1
InChIKeyRLFUZGBVFSQZHA-SYQHCUMBSA-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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Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol (CID 126506764) is (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol is O[C@@H]1[C@@H]([C@H](F)CC2CCCCC2)C2(CC2)NC[C@H]1O.
What is the InChIKey of (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is RLFUZGBVFSQZHA-SYQHCUMBSA-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/t11-,12-,13-,14+/m1/s1.
What are the key properties of (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-[(1R)-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 (6R,7R,8S)-8-[(1R)-2-cyclohexyl-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 126506764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).