1-tert-butyl-2-(fluoromethyl)cyclopropane

C8H15F — CID 176792850

IUPAC1-tert-butyl-2-(fluoromethyl)cyclopropane
SMILESCC(C)(C)C1CC1CF
InChIInChI=1S/C8H15F/c1-8(2,3)7-4-6(7)5-9/h6-7H,4-5H2,1-3H3
InChIKeyAGDDULGNEVUBED-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.64
Rot. Bonds1

About 1-tert-butyl-2-(fluoromethyl)cyclopropane

1-tert-butyl-2-(fluoromethyl)cyclopropane (PubChem CID 176792850) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-tert-butyl-2-(fluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-(fluoromethyl)cyclopropane
PubChem CID176792850
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name1-tert-butyl-2-(fluoromethyl)cyclopropane
SMILESCC(C)(C)C1CC1CF
InChIInChI=1S/C8H15F/c1-8(2,3)7-4-6(7)5-9/h6-7H,4-5H2,1-3H3
InChIKeyAGDDULGNEVUBED-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-2-(fluoromethyl)cyclopropane 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

(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 140898338
4-(2-tert-butylcyclopropyl)butan-1-amine
CID 170282350
2-(fluoromethyl)cyclopropan-1-ol
CID 84715966
trans-(1S,2S)-1-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethyl]cyclopropane
CID 177285058
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
CID 139022348
N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine
CID 138615187
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
CID 70799705
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758656
1,5-ditert-butyl-2,4-difluorocyclohexane
CID 166036476
cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine
CID 136589400
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
CID 159631086

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(fluoromethyl)cyclopropane?
The IUPAC name of 1-tert-butyl-2-(fluoromethyl)cyclopropane (CID 176792850) is 1-tert-butyl-2-(fluoromethyl)cyclopropane.
What is the SMILES notation for 1-tert-butyl-2-(fluoromethyl)cyclopropane?
The canonical SMILES for 1-tert-butyl-2-(fluoromethyl)cyclopropane is CC(C)(C)C1CC1CF.
What is the InChIKey of 1-tert-butyl-2-(fluoromethyl)cyclopropane?
The InChIKey is AGDDULGNEVUBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-8(2,3)7-4-6(7)5-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(fluoromethyl)cyclopropane?
1-tert-butyl-2-(fluoromethyl)cyclopropane has a molecular weight of 130.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(fluoromethyl)cyclopropane is sourced from PubChem (CID 176792850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).