cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol

C12H12F4O2 — CID 91657136

IUPACcyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)C(F)F)c1)C1CC1
InChIInChI=1S/C12H12F4O2/c13-11(14)12(15,16)18-9-3-1-2-8(6-9)10(17)7-4-5-7/h1-3,6-7,10-11,17H,4-5H2
InChIKeyKTLZZWOABBSWRK-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.37
Rot. Bonds5

About cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol

cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol (PubChem CID 91657136) has the molecular formula C12H12F4O2 and a molecular weight of 264.22 g/mol. Its IUPAC name is cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Namecyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
PubChem CID91657136
Molecular FormulaC12H12F4O2
Molecular Weight264.22 g/mol
Exact Mass264.08
IUPAC Namecyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)C(F)F)c1)C1CC1
InChIInChI=1S/C12H12F4O2/c13-11(14)12(15,16)18-9-3-1-2-8(6-9)10(17)7-4-5-7/h1-3,6-7,10-11,17H,4-5H2
InChIKeyKTLZZWOABBSWRK-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol 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

(1S,2R)-2-amino-1-cyclobutyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol;hydrochloride
CID 171159807
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
(R)-cyclopropyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 171208678
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312484
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
CID 171208640
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
The IUPAC name of cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol (CID 91657136) is cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol.
What is the SMILES notation for cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
The canonical SMILES for cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol is OC(c1cccc(OC(F)(F)C(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
The InChIKey is KTLZZWOABBSWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O2/c13-11(14)12(15,16)18-9-3-1-2-8(6-9)10(17)7-4-5-7/h1-3,6-7,10-11,17H,4-5H2.
What are the key properties of cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol has a molecular weight of 264.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol is sourced from PubChem (CID 91657136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).