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

C14H17FO2 — CID 122208006

IUPAC(4S)-4-[(1S,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-FDYHWXHSSA-N
MW236.29 g/mol
LogP2.89
Rot. Bonds2

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

(4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 122208006) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID122208006
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(4S)-4-[(1S,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-FDYHWXHSSA-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

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

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Related Compounds

Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
2-Phenylpropanal propylene glycol acetal
CID 236687
1,3-Dioxolane, 2-(1-phenylethyl)-
CID 97785
4-Methyl-2-(phenylmethyl)-1,3-dioxolane
CID 50936913
1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-
CID 175216
1,3-Dioxolane, 2-benzyl-2-methyl-
CID 221904
4-Methyl-2-(1-(o-tolyl)ethyl)-1,3-dioxolane
CID 11970878
8-[4-(4-Methylphenyl)-3-cyclohexen-1-yl]-1,4-dioxaspiro[4.5]decane
CID 91980675
8-(4-(4-Methylphenyl)cyclohexyl)-1,4-dioxaspiro(4.5)decane
CID 101232052
2-Methyl-2-phenethyl-1,3-dioxolane
CID 11830267
2-Ethoxy-3-phenethyl-2-(trifluoromethyl)oxirane
CID 15651912
2-Benzyl-2,4,5-trimethyl-1,3-dioxolane
CID 221926

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane (CID 122208006) is (4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1S,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-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OJXDJKCRZQBDMK-FDYHWXHSSA-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-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1S,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-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 122208006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).