1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane

C10H18F2O — CID 123254900

IUPAC1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane
SMILESCOCC1(CCCC(F)F)CCC1
InChIInChI=1S/C10H18F2O/c1-13-8-10(6-3-7-10)5-2-4-9(11)12/h9H,2-8H2,1H3
InChIKeyJTNNSMQEYDXOKB-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.24
Rot. Bonds6

About 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane

1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane (PubChem CID 123254900) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane
PubChem CID123254900
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane
SMILESCOCC1(CCCC(F)F)CCC1
InChIInChI=1S/C10H18F2O/c1-13-8-10(6-3-7-10)5-2-4-9(11)12/h9H,2-8H2,1H3
InChIKeyJTNNSMQEYDXOKB-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane?
The IUPAC name of 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane (CID 123254900) is 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane.
What is the SMILES notation for 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane?
The canonical SMILES for 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane is COCC1(CCCC(F)F)CCC1.
What is the InChIKey of 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane?
The InChIKey is JTNNSMQEYDXOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-13-8-10(6-3-7-10)5-2-4-9(11)12/h9H,2-8H2,1H3.
What are the key properties of 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane?
1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane has a molecular weight of 192.25 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutyl)-1-(methoxymethyl)cyclobutane is sourced from PubChem (CID 123254900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).