3-tert-butyl-1,1-difluorocyclopentane

C9H16F2 — CID 59458655

IUPAC3-tert-butyl-1,1-difluorocyclopentane
SMILESCC(C)(C)C1CCC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-8(2,3)7-4-5-9(10,11)6-7/h7H,4-6H2,1-3H3
InChIKeyNFEMYFQMNPXLPL-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds

About 3-tert-butyl-1,1-difluorocyclopentane

3-tert-butyl-1,1-difluorocyclopentane (PubChem CID 59458655) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 3-tert-butyl-1,1-difluorocyclopentane.

Molecular Properties

Compound Name3-tert-butyl-1,1-difluorocyclopentane
PubChem CID59458655
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name3-tert-butyl-1,1-difluorocyclopentane
SMILESCC(C)(C)C1CCC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-8(2,3)7-4-5-9(10,11)6-7/h7H,4-6H2,1-3H3
InChIKeyNFEMYFQMNPXLPL-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1-difluorocyclopentane?
The IUPAC name of 3-tert-butyl-1,1-difluorocyclopentane (CID 59458655) is 3-tert-butyl-1,1-difluorocyclopentane.
What is the SMILES notation for 3-tert-butyl-1,1-difluorocyclopentane?
The canonical SMILES for 3-tert-butyl-1,1-difluorocyclopentane is CC(C)(C)C1CCC(F)(F)C1.
What is the InChIKey of 3-tert-butyl-1,1-difluorocyclopentane?
The InChIKey is NFEMYFQMNPXLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-8(2,3)7-4-5-9(10,11)6-7/h7H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-1,1-difluorocyclopentane?
3-tert-butyl-1,1-difluorocyclopentane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,1-difluorocyclopentane is sourced from PubChem (CID 59458655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).