1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane

C9H14F4 — CID 146488357

IUPAC1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane
SMILESCC(C)(C)C1(C(F)F)CC(F)(F)C1
InChIInChI=1S/C9H14F4/c1-7(2,3)8(6(10)11)4-9(12,13)5-8/h6H,4-5H2,1-3H3
InChIKeyUAOILSDPAUGSKZ-UHFFFAOYSA-N
MW198.20 g/mol
LogP3.71
Rot. Bonds1

About 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane

1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane (PubChem CID 146488357) has the molecular formula C9H14F4 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane.

Molecular Properties

Compound Name1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane
PubChem CID146488357
Molecular FormulaC9H14F4
Molecular Weight198.20 g/mol
Exact Mass198.10
IUPAC Name1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane
SMILESCC(C)(C)C1(C(F)F)CC(F)(F)C1
InChIInChI=1S/C9H14F4/c1-7(2,3)8(6(10)11)4-9(12,13)5-8/h6H,4-5H2,1-3H3
InChIKeyUAOILSDPAUGSKZ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1-(difluoromethyl)cyclopropane
CID 121308239
1-butan-2-yl-3,3-difluoro-1-(trifluoromethyl)cyclobutane
CID 146382834
6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane
CID 174262930
1-tert-butyl-3-fluorobicyclo[1.1.0]butane
CID 170193455
1-butan-2-yl-1-tert-butylcyclopropane
CID 123358420
1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane
CID 164958801
1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
CID 167456625
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 130233531
1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
CID 12600021

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane?
The IUPAC name of 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane (CID 146488357) is 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane.
What is the SMILES notation for 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane?
The canonical SMILES for 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane is CC(C)(C)C1(C(F)F)CC(F)(F)C1.
What is the InChIKey of 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane?
The InChIKey is UAOILSDPAUGSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4/c1-7(2,3)8(6(10)11)4-9(12,13)5-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane?
1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane has a molecular weight of 198.20 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(difluoromethyl)-3,3-difluorocyclobutane is sourced from PubChem (CID 146488357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).