1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol

C9H13F3O2 — CID 130697809

IUPAC1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol
SMILESCOC1CC(O)(C(F)(F)F)C12CCC2
InChIInChI=1S/C9H13F3O2/c1-14-6-5-8(13,9(10,11)12)7(6)3-2-4-7/h6,13H,2-5H2,1H3
InChIKeyUEACFINNZBYVSM-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.87
Rot. Bonds1

About 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol

1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol (PubChem CID 130697809) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol.

Molecular Properties

Compound Name1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol
PubChem CID130697809
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol
SMILESCOC1CC(O)(C(F)(F)F)C12CCC2
InChIInChI=1S/C9H13F3O2/c1-14-6-5-8(13,9(10,11)12)7(6)3-2-4-7/h6,13H,2-5H2,1H3
InChIKeyUEACFINNZBYVSM-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-methoxyspiro[3.3]heptan-3-ol
CID 130681732
2,2-difluoro-1-(trifluoromethyl)cyclopentan-1-ol
CID 59440477
1-tert-butyl-2-methoxycyclobutan-1-ol
CID 172542589
11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one
CID 130655238
7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
CID 130655634
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
CID 153410019
1-fluorocyclohexane-1,3-diol
CID 175445441
ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate
CID 106874296
7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
CID 59331059
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873665
(5S,6S)-6-methoxy-4-oxadispiro[2.1.25.33]decane
CID 163836885
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol?
The IUPAC name of 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol (CID 130697809) is 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol.
What is the SMILES notation for 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol?
The canonical SMILES for 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol is COC1CC(O)(C(F)(F)F)C12CCC2.
What is the InChIKey of 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol?
The InChIKey is UEACFINNZBYVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-14-6-5-8(13,9(10,11)12)7(6)3-2-4-7/h6,13H,2-5H2,1H3.
What are the key properties of 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol?
1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol has a molecular weight of 210.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol is sourced from PubChem (CID 130697809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).