1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene

C10H15FO — CID 155684949

IUPAC1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1CC(F)=CC=C1C(C)C
InChIInChI=1S/C10H15FO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h4-5,7,10H,6H2,1-3H3
InChIKeyNLAGXWOPNNZOOK-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.84
Rot. Bonds2

About 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene

1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 155684949) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID155684949
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1CC(F)=CC=C1C(C)C
InChIInChI=1S/C10H15FO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h4-5,7,10H,6H2,1-3H3
InChIKeyNLAGXWOPNNZOOK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Fluoro-6-methoxy-1-methylcyclohexa-1,3-diene
CID 68381504
5-Fluoro-2-(2-methylpropyl)-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70299536
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 89293971
5-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 89337031
2-Ethyl-3-fluoro-5-methoxycyclohexa-1,3-diene
CID 89394958
2-Fluoro-6-methyl-5-propan-2-yloxycyclohexa-1,3-diene
CID 117712739
5-Fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene
CID 123170743

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene (CID 155684949) is 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene is COC1CC(F)=CC=C1C(C)C.
What is the InChIKey of 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is NLAGXWOPNNZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7(2)9-5-4-8(11)6-10(9)12-3/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene?
1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxy-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 155684949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).