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

C8H13F2NO2 — CID 118197634

IUPAC(6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
InChIKeyHNWFXDPDLGNHIM-SRQIZXRXSA-N
MW193.19 g/mol
LogP-0.27
Rot. Bonds1

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

(6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197634) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197634
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
InChIKeyHNWFXDPDLGNHIM-SRQIZXRXSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 5-0.27
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-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118197634) is (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol is O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C(F)F.
What is the InChIKey of (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is HNWFXDPDLGNHIM-SRQIZXRXSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1.
What are the key properties of (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 193.19 g/mol, XLogP of -0.27, 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-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).