(6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol

C8H14FNO2 — CID 91810852

IUPAC(6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CF
InChIInChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyMFUFEXHORIKDTD-FSDSQADBSA-N
MW175.20 g/mol
LogP-0.57
Rot. Bonds1

About (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 91810852) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID91810852
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CF
InChIInChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyMFUFEXHORIKDTD-FSDSQADBSA-N
XLogP-0.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 5-0.57
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-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 91810852) is (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol is O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CF.
What is the InChIKey of (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is MFUFEXHORIKDTD-FSDSQADBSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 175.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 91810852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).