1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C15H18F4O2 — CID 103474035

IUPAC1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H18F4O2/c16-14(17)15(18,19)9-21-8-13(20)12-6-2-5-11(7-12)10-3-1-4-10/h2,5-7,10,13-14,20H,1,3-4,8-9H2
InChIKeyGKDYVDKXXIAHAM-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.90
Rot. Bonds7

About 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103474035) has the molecular formula C15H18F4O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103474035
Molecular FormulaC15H18F4O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H18F4O2/c16-14(17)15(18,19)9-21-8-13(20)12-6-2-5-11(7-12)10-3-1-4-10/h2,5-7,10,13-14,20H,1,3-4,8-9H2
InChIKeyGKDYVDKXXIAHAM-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol 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

1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140
(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312671
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105
1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
CID 114602177
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103474035) is 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is OC(COCC(F)(F)C(F)F)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is GKDYVDKXXIAHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O2/c16-14(17)15(18,19)9-21-8-13(20)12-6-2-5-11(7-12)10-3-1-4-10/h2,5-7,10,13-14,20H,1,3-4,8-9H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 306.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103474035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).