4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol

C11H15F7O3 — CID 166847003

IUPAC4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol
SMILESOCCCCOC1C(OCCC(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11H15F7O3/c12-9(13,14)3-6-21-8-7(20-5-2-1-4-19)10(15,16)11(8,17)18/h7-8,19H,1-6H2
InChIKeyAQNKMLUGKKVSCR-UHFFFAOYSA-N
MW328.22 g/mol
LogP2.77
Rot. Bonds8

About 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol

4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol (PubChem CID 166847003) has the molecular formula C11H15F7O3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol
PubChem CID166847003
Molecular FormulaC11H15F7O3
Molecular Weight328.22 g/mol
Exact Mass328.09
IUPAC Name4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol
SMILESOCCCCOC1C(OCCC(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11H15F7O3/c12-9(13,14)3-6-21-8-7(20-5-2-1-4-19)10(15,16)11(8,17)18/h7-8,19H,1-6H2
InChIKeyAQNKMLUGKKVSCR-UHFFFAOYSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3,3-difluoro-2-(4-hydroxybutoxy)cyclobutyl]oxybutan-1-ol
CID 166846996
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639
4-(3,3-dimethylcyclobutyl)oxybutan-1-ol
CID 58375966
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
(1R,2R,4S,5R)-6-(4-hydroxybutoxy)cyclohexane-1,2,3,4,5-pentol
CID 90887918
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol
CID 82789504
trifluoro(4-hydroxybutoxy)boranuide
CID 172523875
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
4-(1,3-dioxolan-2-yloxy)butan-1-ol
CID 23298944
12,12,12-trifluorododecoxyboronic acid
CID 150599191

Frequently Asked Questions

What is the IUPAC name of 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol?
The IUPAC name of 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol (CID 166847003) is 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol.
What is the SMILES notation for 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol?
The canonical SMILES for 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol is OCCCCOC1C(OCCC(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol?
The InChIKey is AQNKMLUGKKVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O3/c12-9(13,14)3-6-21-8-7(20-5-2-1-4-19)10(15,16)11(8,17)18/h7-8,19H,1-6H2.
What are the key properties of 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol?
4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol has a molecular weight of 328.22 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,3,3-tetrafluoro-4-(3,3,3-trifluoropropoxy)cyclobutyl]oxybutan-1-ol is sourced from PubChem (CID 166847003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).