(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol

C8H12F2O — CID 59721596

IUPAC(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol
SMILESC=CC1C(C[C@H](C)O)C1(F)F
InChIInChI=1S/C8H12F2O/c1-3-6-7(4-5(2)11)8(6,9)10/h3,5-7,11H,1,4H2,2H3/t5-,6?,7?/m0/s1
InChIKeyGSKGRVIQOJOUPP-VTSJMVTISA-N
MW162.18 g/mol
LogP1.82
Rot. Bonds3

About (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol

(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol (PubChem CID 59721596) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol
PubChem CID59721596
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol
SMILESC=CC1C(C[C@H](C)O)C1(F)F
InChIInChI=1S/C8H12F2O/c1-3-6-7(4-5(2)11)8(6,9)10/h3,5-7,11H,1,4H2,2H3/t5-,6?,7?/m0/s1
InChIKeyGSKGRVIQOJOUPP-VTSJMVTISA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol?
The IUPAC name of (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol (CID 59721596) is (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol?
The canonical SMILES for (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol is C=CC1C(C[C@H](C)O)C1(F)F.
What is the InChIKey of (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol?
The InChIKey is GSKGRVIQOJOUPP-VTSJMVTISA-N. The full InChI is InChI=1S/C8H12F2O/c1-3-6-7(4-5(2)11)8(6,9)10/h3,5-7,11H,1,4H2,2H3/t5-,6?,7?/m0/s1.
What are the key properties of (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol?
(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol has a molecular weight of 162.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol is sourced from PubChem (CID 59721596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).