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

C14H25F2NO3 — CID 118199713

IUPAC(6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C12CC2
InChIInChI=1S/C14H25F2NO3/c15-13(16)11-12(20)10(19)9-17(14(11)5-6-14)7-3-1-2-4-8-18/h10-13,18-20H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyLFJJQQAVEQOGCX-WOPDTQHZSA-N
MW293.35 g/mol
LogP0.99
Rot. Bonds7

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

(6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118199713) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118199713
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Name(6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C12CC2
InChIInChI=1S/C14H25F2NO3/c15-13(16)11-12(20)10(19)9-17(14(11)5-6-14)7-3-1-2-4-8-18/h10-13,18-20H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyLFJJQQAVEQOGCX-WOPDTQHZSA-N
XLogP0.99
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118199713) is (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol is OCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C12CC2.
What is the InChIKey of (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is LFJJQQAVEQOGCX-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H25F2NO3/c15-13(16)11-12(20)10(19)9-17(14(11)5-6-14)7-3-1-2-4-8-18/h10-13,18-20H,1-9H2/t10-,11+,12+/m1/s1.
What are the key properties of (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 293.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(difluoromethyl)-4-(6-hydroxyhexyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118199713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).