cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

C12H23FO — CID 140898337

IUPACcis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)OC[C@@]1(F)C[C@@H]1C(C)(C)C
InChIInChI=1S/C12H23FO/c1-10(2,3)9-7-12(9,13)8-14-11(4,5)6/h9H,7-8H2,1-6H3/t9-,12+/m1/s1
InChIKeyKNDACBHXHFAFCJ-SKDRFNHKSA-N
MW202.31 g/mol
LogP3.58
Rot. Bonds2

About cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (PubChem CID 140898337) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
PubChem CID140898337
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Namecis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)OC[C@@]1(F)C[C@@H]1C(C)(C)C
InChIInChI=1S/C12H23FO/c1-10(2,3)9-7-12(9,13)8-14-11(4,5)6/h9H,7-8H2,1-6H3/t9-,12+/m1/s1
InChIKeyKNDACBHXHFAFCJ-SKDRFNHKSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The IUPAC name of cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (CID 140898337) is cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.
What is the SMILES notation for cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The canonical SMILES for cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is CC(C)(C)OC[C@@]1(F)C[C@@H]1C(C)(C)C.
What is the InChIKey of cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The InChIKey is KNDACBHXHFAFCJ-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H23FO/c1-10(2,3)9-7-12(9,13)8-14-11(4,5)6/h9H,7-8H2,1-6H3/t9-,12+/m1/s1.
What are the key properties of cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane has a molecular weight of 202.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-tert-butyl-1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is sourced from PubChem (CID 140898337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).