1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane

C16H26F4 — CID 167068477

IUPAC1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane
SMILESCC(C)(CC1CC1(F)C(C)(C)C)CC1(C(F)(F)F)CC1
InChIInChI=1S/C16H26F4/c1-12(2,3)15(17)9-11(15)8-13(4,5)10-14(6-7-14)16(18,19)20/h11H,6-10H2,1-5H3
InChIKeyLCEQBLQQHYLGCD-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.91
Rot. Bonds4

About 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane

1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane (PubChem CID 167068477) has the molecular formula C16H26F4 and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane
PubChem CID167068477
Molecular FormulaC16H26F4
Molecular Weight294.38 g/mol
Exact Mass294.20
IUPAC Name1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane
SMILESCC(C)(CC1CC1(F)C(C)(C)C)CC1(C(F)(F)F)CC1
InChIInChI=1S/C16H26F4/c1-12(2,3)15(17)9-11(15)8-13(4,5)10-14(6-7-14)16(18,19)20/h11H,6-10H2,1-5H3
InChIKeyLCEQBLQQHYLGCD-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
CID 166923633
1-tert-butyl-1-ethylcyclopropane
CID 58798513
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098
3-[(1-tert-butylcyclopropyl)methyl]-1-methylsulfanyl-1-(trifluoromethyl)cyclobutane
CID 163814764
2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
CID 58247817
CID 153335895
CID 153335895
2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 127017203
1-(1,1-difluoropropyl)-1,2-difluorocyclopropane
CID 118374927
bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 162149662
6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane
CID 162025832
1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane
CID 138526002
N-methyl-N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 178108544

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane?
The IUPAC name of 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane (CID 167068477) is 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane.
What is the SMILES notation for 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane?
The canonical SMILES for 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane is CC(C)(CC1CC1(F)C(C)(C)C)CC1(C(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane?
The InChIKey is LCEQBLQQHYLGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F4/c1-12(2,3)15(17)9-11(15)8-13(4,5)10-14(6-7-14)16(18,19)20/h11H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane?
1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane has a molecular weight of 294.38 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane is sourced from PubChem (CID 167068477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).