3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene

C11H15FO — CID 134559116

IUPAC3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene
SMILESCC1C=C(OCC2CC2)C(F)=CC1
InChIInChI=1S/C11H15FO/c1-8-2-5-10(12)11(6-8)13-7-9-3-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyDELCMBLXZPFZKZ-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.19
Rot. Bonds3

About 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene

3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 134559116) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID134559116
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene
SMILESCC1C=C(OCC2CC2)C(F)=CC1
InChIInChI=1S/C11H15FO/c1-8-2-5-10(12)11(6-8)13-7-9-3-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyDELCMBLXZPFZKZ-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene (CID 134559116) is 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene is CC1C=C(OCC2CC2)C(F)=CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is DELCMBLXZPFZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8-2-5-10(12)11(6-8)13-7-9-3-4-9/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene?
3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 182.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-2-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 134559116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).