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

C10H15FO — CID 134454696

IUPAC2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=CC(C(C)C)C1
InChIInChI=1S/C10H15FO/c1-7(2)8-4-5-9(11)10(6-8)12-3/h4-5,7-8H,6H2,1-3H3
InChIKeyHZJCPRFLQKRFEX-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.05
Rot. Bonds2

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

2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 134454696) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID134454696
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=CC(C(C)C)C1
InChIInChI=1S/C10H15FO/c1-7(2)8-4-5-9(11)10(6-8)12-3/h4-5,7-8H,6H2,1-3H3
InChIKeyHZJCPRFLQKRFEX-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
1-Fluoro-3-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 67557004
5,6-Ditert-butyl-1-(2-fluorobutoxy)cyclohexa-1,3-diene
CID 68177801
2-Fluoro-5-(3-methoxypropyl)cyclohexa-1,3-diene
CID 68177839
3-Fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
CID 70225784
2-Fluoro-5-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336639
1-Fluoro-6-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336640
5-(1-Fluoro-2-methoxyethyl)cyclohexa-1,3-diene
CID 70336641
2-Fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336642
1-Fluoro-6-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336647
6-Ethyl-2-fluoro-5-methylcyclohexa-1,3-dien-1-ol
CID 70355498

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene (CID 134454696) is 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene is COC1=C(F)C=CC(C(C)C)C1.
What is the InChIKey of 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is HZJCPRFLQKRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7(2)8-4-5-9(11)10(6-8)12-3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 134454696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).