cis-(1S,2R)-1-fluoro-2-methylcyclopropane

C4H7F — CID 54439479

IUPACcis-(1S,2R)-1-fluoro-2-methylcyclopropane
SMILESC[C@@H]1C[C@@H]1F
InChIInChI=1S/C4H7F/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4+/m1/s1
InChIKeyWNBMPCSKLWIYKM-DMTCNVIQSA-N
MW74.10 g/mol
LogP1.36
Rot. Bonds

About cis-(1S,2R)-1-fluoro-2-methylcyclopropane

cis-(1S,2R)-1-fluoro-2-methylcyclopropane (PubChem CID 54439479) has the molecular formula C4H7F and a molecular weight of 74.10 g/mol. Its IUPAC name is cis-(1S,2R)-1-fluoro-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1-fluoro-2-methylcyclopropane
PubChem CID54439479
Molecular FormulaC4H7F
Molecular Weight74.10 g/mol
Exact Mass74.05
IUPAC Namecis-(1S,2R)-1-fluoro-2-methylcyclopropane
SMILESC[C@@H]1C[C@@H]1F
InChIInChI=1S/C4H7F/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4+/m1/s1
InChIKeyWNBMPCSKLWIYKM-DMTCNVIQSA-N
XLogP1.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.10
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
The IUPAC name of cis-(1S,2R)-1-fluoro-2-methylcyclopropane (CID 54439479) is cis-(1S,2R)-1-fluoro-2-methylcyclopropane.
What is the SMILES notation for cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
The canonical SMILES for cis-(1S,2R)-1-fluoro-2-methylcyclopropane is C[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
The InChIKey is WNBMPCSKLWIYKM-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H7F/c1-3-2-4(3)5/h3-4H,2H2,1H3/t3-,4+/m1/s1.
What are the key properties of cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
cis-(1S,2R)-1-fluoro-2-methylcyclopropane has a molecular weight of 74.10 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-fluoro-2-methylcyclopropane is sourced from PubChem (CID 54439479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).