(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene

C13H23FO — CID 170291282

IUPAC(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene
SMILESCC(C)COCC1C=CC[C@](C)(F)CC1
InChIInChI=1S/C13H23FO/c1-11(2)9-15-10-12-5-4-7-13(3,14)8-6-12/h4-5,11-12H,6-10H2,1-3H3/t12?,13-/m0/s1
InChIKeyIEMACSJSVWZDMJ-ABLWVSNPSA-N
MW214.32 g/mol
LogP3.74
Rot. Bonds4

About (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene

(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene (PubChem CID 170291282) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene.

Molecular Properties

Compound Name(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene
PubChem CID170291282
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene
SMILESCC(C)COCC1C=CC[C@](C)(F)CC1
InChIInChI=1S/C13H23FO/c1-11(2)9-15-10-12-5-4-7-13(3,14)8-6-12/h4-5,11-12H,6-10H2,1-3H3/t12?,13-/m0/s1
InChIKeyIEMACSJSVWZDMJ-ABLWVSNPSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene?
The IUPAC name of (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene (CID 170291282) is (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene.
What is the SMILES notation for (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene?
The canonical SMILES for (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene is CC(C)COCC1C=CC[C@](C)(F)CC1.
What is the InChIKey of (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene?
The InChIKey is IEMACSJSVWZDMJ-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H23FO/c1-11(2)9-15-10-12-5-4-7-13(3,14)8-6-12/h4-5,11-12H,6-10H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene?
(6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene has a molecular weight of 214.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-fluoro-6-methyl-3-(2-methylpropoxymethyl)cycloheptene is sourced from PubChem (CID 170291282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).