1-fluoro-5-propan-2-ylcyclohexa-1,3-diene

C9H13F — CID 89404661

IUPAC1-fluoro-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC=C(F)C1
InChIInChI=1S/C9H13F/c1-7(2)8-4-3-5-9(10)6-8/h3-5,7-8H,6H2,1-2H3
InChIKeyHRNRKEPIKJKACN-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.07
Rot. Bonds1

About 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene

1-fluoro-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 89404661) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID89404661
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name1-fluoro-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC=C(F)C1
InChIInChI=1S/C9H13F/c1-7(2)8-4-3-5-9(10)6-8/h3-5,7-8H,6H2,1-2H3
InChIKeyHRNRKEPIKJKACN-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene (CID 89404661) is 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1C=CC=C(F)C1.
What is the InChIKey of 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is HRNRKEPIKJKACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-7(2)8-4-3-5-9(10)6-8/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene?
1-fluoro-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 89404661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).