3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol

C9H15F3O2 — CID 106823216

IUPAC3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
SMILESCCOC1CC(O)(CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3O2/c1-2-14-7-5-8(13,6-7)3-4-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyNGGFQQHPKKVMDV-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.26
Rot. Bonds4

About 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol

3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol (PubChem CID 106823216) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
PubChem CID106823216
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
SMILESCCOC1CC(O)(CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3O2/c1-2-14-7-5-8(13,6-7)3-4-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyNGGFQQHPKKVMDV-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
CID 106824789
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
CID 106825166
1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate
CID 106824086
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823500
3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
CID 106822496
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol (CID 106823216) is 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol is CCOC1CC(O)(CCC(F)(F)F)C1.
What is the InChIKey of 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
The InChIKey is NGGFQQHPKKVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-2-14-7-5-8(13,6-7)3-4-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol has a molecular weight of 212.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol is sourced from PubChem (CID 106823216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).