(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde

C7H9FO — CID 163876171

IUPAC(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde
SMILESCC1(C=O)C[C@@]12CC2F
InChIInChI=1S/C7H9FO/c1-6(4-9)3-7(6)2-5(7)8/h4-5H,2-3H2,1H3/t5?,6?,7-/m1/s1
InChIKeyPPBKZIWYHPJMPA-KPGICGJXSA-N
MW128.15 g/mol
LogP1.32
Rot. Bonds1

About (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde

(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde (PubChem CID 163876171) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde.

Molecular Properties

Compound Name(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde
PubChem CID163876171
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde
SMILESCC1(C=O)C[C@@]12CC2F
InChIInChI=1S/C7H9FO/c1-6(4-9)3-7(6)2-5(7)8/h4-5H,2-3H2,1H3/t5?,6?,7-/m1/s1
InChIKeyPPBKZIWYHPJMPA-KPGICGJXSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde?
The IUPAC name of (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde (CID 163876171) is (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde.
What is the SMILES notation for (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde?
The canonical SMILES for (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde is CC1(C=O)C[C@@]12CC2F.
What is the InChIKey of (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde?
The InChIKey is PPBKZIWYHPJMPA-KPGICGJXSA-N. The full InChI is InChI=1S/C7H9FO/c1-6(4-9)3-7(6)2-5(7)8/h4-5H,2-3H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde?
(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde has a molecular weight of 128.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde is sourced from PubChem (CID 163876171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).