[(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate

C10H14F2O2 — CID 166561295

IUPAC[(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate
SMILESC=CC[C@@H]1C(F)(F)[C@@]1(C)COC(C)=O
InChIInChI=1S/C10H14F2O2/c1-4-5-8-9(3,10(8,11)12)6-14-7(2)13/h4,8H,1,5-6H2,2-3H3/t8-,9-/m0/s1
InChIKeyWTVIYHSBXUSSEQ-IUCAKERBSA-N
MW204.22 g/mol
LogP2.40
Rot. Bonds4

About [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate

[(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate (PubChem CID 166561295) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate.

Molecular Properties

Compound Name[(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate
PubChem CID166561295
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name[(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate
SMILESC=CC[C@@H]1C(F)(F)[C@@]1(C)COC(C)=O
InChIInChI=1S/C10H14F2O2/c1-4-5-8-9(3,10(8,11)12)6-14-7(2)13/h4,8H,1,5-6H2,2-3H3/t8-,9-/m0/s1
InChIKeyWTVIYHSBXUSSEQ-IUCAKERBSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate?
The IUPAC name of [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate (CID 166561295) is [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate.
What is the SMILES notation for [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate?
The canonical SMILES for [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate is C=CC[C@@H]1C(F)(F)[C@@]1(C)COC(C)=O.
What is the InChIKey of [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate?
The InChIKey is WTVIYHSBXUSSEQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-4-5-8-9(3,10(8,11)12)6-14-7(2)13/h4,8H,1,5-6H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate?
[(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate has a molecular weight of 204.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2,2-difluoro-1-methyl-3-prop-2-enylcyclopropyl]methyl acetate is sourced from PubChem (CID 166561295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).