(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol

C14H24F2O3 — CID 118012904

IUPAC(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol
SMILESCC[C@](O)(C(F)F)[C@H]1OC(C)(C)O[C@@]1(C)C=C(C)C
InChIInChI=1S/C14H24F2O3/c1-7-14(17,11(15)16)10-13(6,8-9(2)3)19-12(4,5)18-10/h8,10-11,17H,7H2,1-6H3/t10-,13-,14+/m0/s1
InChIKeyZXFIRFIBQBLZRH-LEWSCRJBSA-N
MW278.34 g/mol
LogP3.27
Rot. Bonds4

About (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol

(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol (PubChem CID 118012904) has the molecular formula C14H24F2O3 and a molecular weight of 278.34 g/mol. Its IUPAC name is (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol
PubChem CID118012904
Molecular FormulaC14H24F2O3
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol
SMILESCC[C@](O)(C(F)F)[C@H]1OC(C)(C)O[C@@]1(C)C=C(C)C
InChIInChI=1S/C14H24F2O3/c1-7-14(17,11(15)16)10-13(6,8-9(2)3)19-12(4,5)18-10/h8,10-11,17H,7H2,1-6H3/t10-,13-,14+/m0/s1
InChIKeyZXFIRFIBQBLZRH-LEWSCRJBSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol?
The IUPAC name of (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol (CID 118012904) is (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol.
What is the SMILES notation for (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol?
The canonical SMILES for (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol is CC[C@](O)(C(F)F)[C@H]1OC(C)(C)O[C@@]1(C)C=C(C)C.
What is the InChIKey of (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol?
The InChIKey is ZXFIRFIBQBLZRH-LEWSCRJBSA-N. The full InChI is InChI=1S/C14H24F2O3/c1-7-14(17,11(15)16)10-13(6,8-9(2)3)19-12(4,5)18-10/h8,10-11,17H,7H2,1-6H3/t10-,13-,14+/m0/s1.
What are the key properties of (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol?
(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol has a molecular weight of 278.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol is sourced from PubChem (CID 118012904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).