2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene

C11H17FO — CID 142506588

IUPAC2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene
SMILESCOCC1=C(F)C=C(C(C)C)CC1
InChIInChI=1S/C11H17FO/c1-8(2)9-4-5-10(7-13-3)11(12)6-9/h6,8H,4-5,7H2,1-3H3
InChIKeyBXHMWOCANLFFQA-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.23
Rot. Bonds3

About 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene

2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 142506588) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID142506588
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene
SMILESCOCC1=C(F)C=C(C(C)C)CC1
InChIInChI=1S/C11H17FO/c1-8(2)9-4-5-10(7-13-3)11(12)6-9/h6,8H,4-5,7H2,1-3H3
InChIKeyBXHMWOCANLFFQA-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1-(4-methoxybutyl)-5-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177530
5-Fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexene
CID 68340692
4-Fluoro-1-(methoxymethyl)cyclohexene
CID 68341103
1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800
6-ethenyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247341
6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247366
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247368
6-ethenyl-5-[(2R)-2-fluorobutyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247378
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
1-Fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene
CID 91170622
(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
CID 118018675
(6S)-1-[(E,4S,7S)-8-fluoro-7-methylundec-8-en-4-yl]-6-methoxy-3-methylcyclohexa-1,3-diene
CID 131969443

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene (CID 142506588) is 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene is COCC1=C(F)C=C(C(C)C)CC1.
What is the InChIKey of 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is BXHMWOCANLFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-8(2)9-4-5-10(7-13-3)11(12)6-9/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene?
2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 142506588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).