(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol

C10H14F2O3 — CID 11401736

IUPAC(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol
SMILESCC1(C)OC[C@@]2(C=CC[C@@H](O)C2(F)F)O1
InChIInChI=1S/C10H14F2O3/c1-8(2)14-6-9(15-8)5-3-4-7(13)10(9,11)12/h3,5,7,13H,4,6H2,1-2H3/t7-,9-/m1/s1
InChIKeyDZPMMEBQWQWWHM-VXNVDRBHSA-N
MW220.21 g/mol
LogP1.46
Rot. Bonds

About (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol

(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol (PubChem CID 11401736) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol.

Molecular Properties

Compound Name(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol
PubChem CID11401736
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol
SMILESCC1(C)OC[C@@]2(C=CC[C@@H](O)C2(F)F)O1
InChIInChI=1S/C10H14F2O3/c1-8(2)14-6-9(15-8)5-3-4-7(13)10(9,11)12/h3,5,7,13H,4,6H2,1-2H3/t7-,9-/m1/s1
InChIKeyDZPMMEBQWQWWHM-VXNVDRBHSA-N
XLogP1.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol with MolForge

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Launch Full Analysis

Related Compounds

(1'R,4R,4'S)-5',5'-difluoro-1',2,2-trimethylspiro[1,3-dioxolane-4,6'-7-oxabicyclo[2.2.1]hept-2-ene]
CID 139190039
(3aS,4S,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 21626178
(2R)-3,3-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 118012903
(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol
CID 118012904
(2S)-2-(difluoromethyl)-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-1-ol
CID 118019522
(2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-1,1-difluorobutan-2-ol
CID 121430272
(2R)-1,1-difluoro-3-sulfanyloxy-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 126723241
(2R)-3,3-difluoro-2-[(5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 129150139
2,2,3,3-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 141351516
3,3-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 156259523
(2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3,3,3-trifluoropropane-1,2-diol
CID 169068433
2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3,3,3-trifluoropropane-1,2-diol
CID 169778738

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol?
The IUPAC name of (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol (CID 11401736) is (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol.
What is the SMILES notation for (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol?
The canonical SMILES for (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol is CC1(C)OC[C@@]2(C=CC[C@@H](O)C2(F)F)O1.
What is the InChIKey of (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol?
The InChIKey is DZPMMEBQWQWWHM-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H14F2O3/c1-8(2)14-6-9(15-8)5-3-4-7(13)10(9,11)12/h3,5,7,13H,4,6H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol?
(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol has a molecular weight of 220.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol is sourced from PubChem (CID 11401736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).