cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde

C9H13FO4 — CID 118911984

IUPACcis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
SMILESCC1(C)OC[C@H]([C@]2(O)C[C@]2(F)C=O)O1
InChIInChI=1S/C9H13FO4/c1-7(2)13-3-6(14-7)9(12)4-8(9,10)5-11/h5-6,12H,3-4H2,1-2H3/t6-,8+,9-/m1/s1
InChIKeyPJPWRCJJIWEGCM-BWVDBABLSA-N
MW204.20 g/mol
LogP0.18
Rot. Bonds2

About cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde

cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde (PubChem CID 118911984) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
PubChem CID118911984
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Namecis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
SMILESCC1(C)OC[C@H]([C@]2(O)C[C@]2(F)C=O)O1
InChIInChI=1S/C9H13FO4/c1-7(2)13-3-6(14-7)9(12)4-8(9,10)5-11/h5-6,12H,3-4H2,1-2H3/t6-,8+,9-/m1/s1
InChIKeyPJPWRCJJIWEGCM-BWVDBABLSA-N
XLogP0.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde (CID 118911984) is cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde is CC1(C)OC[C@H]([C@]2(O)C[C@]2(F)C=O)O1.
What is the InChIKey of cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde?
The InChIKey is PJPWRCJJIWEGCM-BWVDBABLSA-N. The full InChI is InChI=1S/C9H13FO4/c1-7(2)13-3-6(14-7)9(12)4-8(9,10)5-11/h5-6,12H,3-4H2,1-2H3/t6-,8+,9-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde has a molecular weight of 204.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde is sourced from PubChem (CID 118911984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).