1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C10H16F4O2 — CID 103473987

IUPAC1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)CC1CCC1
InChIInChI=1S/C10H16F4O2/c11-9(12)10(13,14)6-16-5-8(15)4-7-2-1-3-7/h7-9,15H,1-6H2
InChIKeyNZVQMYFPFOUVNI-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.45
Rot. Bonds7

About 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103473987) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103473987
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)CC1CCC1
InChIInChI=1S/C10H16F4O2/c11-9(12)10(13,14)6-16-5-8(15)4-7-2-1-3-7/h7-9,15H,1-6H2
InChIKeyNZVQMYFPFOUVNI-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474803
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473992
1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
[1-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477623
1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 104753405
1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
CID 106940111
1-(oxan-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474954
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 118376151
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135
1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473846
(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
CID 59949582

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103473987) is 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is OC(COCC(F)(F)C(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is NZVQMYFPFOUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O2/c11-9(12)10(13,14)6-16-5-8(15)4-7-2-1-3-7/h7-9,15H,1-6H2.
What are the key properties of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 244.23 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103473987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).