1-fluoro-4-propoxycyclohexa-1,3-diene

C9H13FO — CID 153211642

IUPAC1-fluoro-4-propoxycyclohexa-1,3-diene
SMILESCCCOC1=CC=C(F)CC1
InChIInChI=1S/C9H13FO/c1-2-7-11-9-5-3-8(10)4-6-9/h3,5H,2,4,6-7H2,1H3
InChIKeyWLXHVGUNOZMCIG-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.94
Rot. Bonds3

About 1-fluoro-4-propoxycyclohexa-1,3-diene

1-fluoro-4-propoxycyclohexa-1,3-diene (PubChem CID 153211642) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-fluoro-4-propoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-4-propoxycyclohexa-1,3-diene
PubChem CID153211642
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-fluoro-4-propoxycyclohexa-1,3-diene
SMILESCCCOC1=CC=C(F)CC1
InChIInChI=1S/C9H13FO/c1-2-7-11-9-5-3-8(10)4-6-9/h3,5H,2,4,6-7H2,1H3
InChIKeyWLXHVGUNOZMCIG-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propoxycyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-4-propoxycyclohexa-1,3-diene (CID 153211642) is 1-fluoro-4-propoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-4-propoxycyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-4-propoxycyclohexa-1,3-diene is CCCOC1=CC=C(F)CC1.
What is the InChIKey of 1-fluoro-4-propoxycyclohexa-1,3-diene?
The InChIKey is WLXHVGUNOZMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-7-11-9-5-3-8(10)4-6-9/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 1-fluoro-4-propoxycyclohexa-1,3-diene?
1-fluoro-4-propoxycyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propoxycyclohexa-1,3-diene is sourced from PubChem (CID 153211642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).