1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane

C14H25FO — CID 131997517

IUPAC1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
SMILESC=C1CC(C)C(F)CC1CCOC(C)(C)C
InChIInChI=1S/C14H25FO/c1-10-8-11(2)13(15)9-12(10)6-7-16-14(3,4)5/h11-13H,1,6-9H2,2-5H3
InChIKeyZTZPLHXXLOTWOV-UHFFFAOYSA-N
MW228.35 g/mol
LogP4.13
Rot. Bonds3

About 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane

1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane (PubChem CID 131997517) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
PubChem CID131997517
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
SMILESC=C1CC(C)C(F)CC1CCOC(C)(C)C
InChIInChI=1S/C14H25FO/c1-10-8-11(2)13(15)9-12(10)6-7-16-14(3,4)5/h11-13H,1,6-9H2,2-5H3
InChIKeyZTZPLHXXLOTWOV-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-
CID 117339
1-Fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 10442437
1-(Ethoxymethyl)-1-fluoro-4-methylidenecyclohexane
CID 59498836
4-(3-Fluoro-4-methylpent-1-en-2-yl)oxane
CID 89053233
1-(2-Methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
CID 91581767
1-Butyl-4-(1-ethoxypropa-1,2-dienyl)-1-fluorocyclohexane
CID 117746104
1-(1-Butoxyethenyl)-4-(2,2,3,3,3-pentafluoropropyl)cyclohexane
CID 117746158
5-(4-Fluoropentyl)-2-methylideneoxane
CID 126704984
1-(2-Ethoxyprop-2-enyl)-4-(trifluoromethyl)cyclohexane
CID 170060048
Cyclohexane, 1-(ethoxymethyl)-4-methylene-
CID 564665
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
CID 101411637
(5-Methoxy-1-methylenepentyl)cyclohexane
CID 3022783

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
The IUPAC name of 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane (CID 131997517) is 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane.
What is the SMILES notation for 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
The canonical SMILES for 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane is C=C1CC(C)C(F)CC1CCOC(C)(C)C.
What is the InChIKey of 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
The InChIKey is ZTZPLHXXLOTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO/c1-10-8-11(2)13(15)9-12(10)6-7-16-14(3,4)5/h11-13H,1,6-9H2,2-5H3.
What are the key properties of 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane has a molecular weight of 228.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane is sourced from PubChem (CID 131997517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).