1-(1,1-difluorobutoxy)-4-fluorocyclohexane

C10H17F3O — CID 58725487

IUPAC1-(1,1-difluorobutoxy)-4-fluorocyclohexane
SMILESCCCC(F)(F)OC1CCC(F)CC1
InChIInChI=1S/C10H17F3O/c1-2-7-10(12,13)14-9-5-3-8(11)4-6-9/h8-9H,2-7H2,1H3
InChIKeyUTZKNFCRWKUCEQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.68
Rot. Bonds4

About 1-(1,1-difluorobutoxy)-4-fluorocyclohexane

1-(1,1-difluorobutoxy)-4-fluorocyclohexane (PubChem CID 58725487) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(1,1-difluorobutoxy)-4-fluorocyclohexane.

Molecular Properties

Compound Name1-(1,1-difluorobutoxy)-4-fluorocyclohexane
PubChem CID58725487
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-(1,1-difluorobutoxy)-4-fluorocyclohexane
SMILESCCCC(F)(F)OC1CCC(F)CC1
InChIInChI=1S/C10H17F3O/c1-2-7-10(12,13)14-9-5-3-8(11)4-6-9/h8-9H,2-7H2,1H3
InChIKeyUTZKNFCRWKUCEQ-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluorobutoxy)-4-fluorocyclohexane?
The IUPAC name of 1-(1,1-difluorobutoxy)-4-fluorocyclohexane (CID 58725487) is 1-(1,1-difluorobutoxy)-4-fluorocyclohexane.
What is the SMILES notation for 1-(1,1-difluorobutoxy)-4-fluorocyclohexane?
The canonical SMILES for 1-(1,1-difluorobutoxy)-4-fluorocyclohexane is CCCC(F)(F)OC1CCC(F)CC1.
What is the InChIKey of 1-(1,1-difluorobutoxy)-4-fluorocyclohexane?
The InChIKey is UTZKNFCRWKUCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-2-7-10(12,13)14-9-5-3-8(11)4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-(1,1-difluorobutoxy)-4-fluorocyclohexane?
1-(1,1-difluorobutoxy)-4-fluorocyclohexane has a molecular weight of 210.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluorobutoxy)-4-fluorocyclohexane is sourced from PubChem (CID 58725487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).