1-tert-butyl-1-(difluoromethyl)cyclopropane

C8H14F2 — CID 121308239

IUPAC1-tert-butyl-1-(difluoromethyl)cyclopropane
SMILESCC(C)(C)C1(C(F)F)CC1
InChIInChI=1S/C8H14F2/c1-7(2,3)8(4-5-8)6(9)10/h6H,4-5H2,1-3H3
InChIKeyGNJVKHZVBHTBJU-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.08
Rot. Bonds1

About 1-tert-butyl-1-(difluoromethyl)cyclopropane

1-tert-butyl-1-(difluoromethyl)cyclopropane (PubChem CID 121308239) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-tert-butyl-1-(difluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-tert-butyl-1-(difluoromethyl)cyclopropane
PubChem CID121308239
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-tert-butyl-1-(difluoromethyl)cyclopropane
SMILESCC(C)(C)C1(C(F)F)CC1
InChIInChI=1S/C8H14F2/c1-7(2,3)8(4-5-8)6(9)10/h6H,4-5H2,1-3H3
InChIKeyGNJVKHZVBHTBJU-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
2-(Difluoromethyl)-1,1-dimethylcyclopropane
CID 132092316
1,1-Difluoro-2,2,3-trimethyl-cyclopropane
CID 569328
1-Methyl-1-(1,1-difluorethyl)cyclopropan
CID 13046642
1,1-Diethyl-2,2-difluorocyclopropane
CID 14715068
1-Propyl-1-(trifluoromethyl)cyclopropane
CID 68096317
2,3-Dimethyl-1,1-bis(trifluoromethyl)cyclopropane
CID 74023411
3-Ethyl-1,1-difluoro-2,2-dimethylcyclopropane
CID 121273882
1,3-Difluoro-1,2,2-trimethylcyclopropane
CID 18461860
1,3-Diethyl-2,2-difluoro-1-methylcyclopropane
CID 18684549
1-Ethyl-2,2-difluoro-1,3-dimethylcyclopropane
CID 18684620
1-Ethyl-2,2-difluoro-1-methylcyclopropane
CID 18684621

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(difluoromethyl)cyclopropane?
The IUPAC name of 1-tert-butyl-1-(difluoromethyl)cyclopropane (CID 121308239) is 1-tert-butyl-1-(difluoromethyl)cyclopropane.
What is the SMILES notation for 1-tert-butyl-1-(difluoromethyl)cyclopropane?
The canonical SMILES for 1-tert-butyl-1-(difluoromethyl)cyclopropane is CC(C)(C)C1(C(F)F)CC1.
What is the InChIKey of 1-tert-butyl-1-(difluoromethyl)cyclopropane?
The InChIKey is GNJVKHZVBHTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-7(2,3)8(4-5-8)6(9)10/h6H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-1-(difluoromethyl)cyclopropane?
1-tert-butyl-1-(difluoromethyl)cyclopropane has a molecular weight of 148.20 g/mol, XLogP of 3.08, 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)cyclopropane is sourced from PubChem (CID 121308239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).