(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane

C14H17FO2 — CID 134967207

IUPAC(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H]([C@@H]2[C@H](F)[C@@H]2c2ccccc2)O1
InChIInChI=1S/C14H17FO2/c1-14(2)16-8-10(17-14)12-11(13(12)15)9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKeyOJXDJKCRZQBDMK-FVCCEPFGSA-N
MW236.29 g/mol
LogP2.89
Rot. Bonds2

About (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 134967207) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID134967207
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H]([C@@H]2[C@H](F)[C@@H]2c2ccccc2)O1
InChIInChI=1S/C14H17FO2/c1-14(2)16-8-10(17-14)12-11(13(12)15)9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKeyOJXDJKCRZQBDMK-FVCCEPFGSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane (CID 134967207) is (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H]([C@@H]2[C@H](F)[C@@H]2c2ccccc2)O1.
What is the InChIKey of (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OJXDJKCRZQBDMK-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H17FO2/c1-14(2)16-8-10(17-14)12-11(13(12)15)9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 236.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 134967207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).