methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate

C10H14F4O3 — CID 103272552

IUPACmethyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C10H14F4O3/c1-16-7(15)5-9(3-2-4-9)17-6-10(13,14)8(11)12/h8H,2-6H2,1H3
InChIKeyQHWLRWICEBFKBV-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.39
Rot. Bonds6

About methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate

methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate (PubChem CID 103272552) has the molecular formula C10H14F4O3 and a molecular weight of 258.21 g/mol. Its IUPAC name is methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
PubChem CID103272552
Molecular FormulaC10H14F4O3
Molecular Weight258.21 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C10H14F4O3/c1-16-7(15)5-9(3-2-4-9)17-6-10(13,14)8(11)12/h8H,2-6H2,1H3
InChIKeyQHWLRWICEBFKBV-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluoro-2-(1-methoxycyclobutyl)acetic acid
CID 137951589
Ethyl 2-(3,3-difluorocyclobutyl)acetate
CID 168444591
Propyl 2-(3,3-difluorocyclobutyl)acetate
CID 118141045
Ethyl 2-(3,3-difluoro-1-hydroxy-cyclobutyl)acetate
CID 139414595
Sodium;2-(3,3-difluoro-1-hydroxycyclobutyl)acetic acid;ethyl 2-(3,3-difluoro-1-hydroxycyclobutyl)acetate;hydroxide
CID 160219924
4,4,4-Trifluoro-3-hexanoyloxy-3-(trifluoromethyl)butanoate
CID 164746835
Ethyl 2,2-difluoro-2-(1-hydroxycyclobutyl)acetate
CID 62396584
Ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
Methyl 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetate
CID 103272469
2-[1-(2,2,2-Trifluoroethoxy)cyclobutyl]acetic acid
CID 103272470
2-[1-(2,2,3,3-Tetrafluoropropoxy)cyclobutyl]acetic acid
CID 103272553
Methyl 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]acetate
CID 103272789

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate (CID 103272552) is methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate is COC(=O)CC1(OCC(F)(F)C(F)F)CCC1.
What is the InChIKey of methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate?
The InChIKey is QHWLRWICEBFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O3/c1-16-7(15)5-9(3-2-4-9)17-6-10(13,14)8(11)12/h8H,2-6H2,1H3.
What are the key properties of methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate?
methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate has a molecular weight of 258.21 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).