2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane

C15H27FO2 — CID 140568453

IUPAC2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane
SMILESCC(C)CCCC1(C2CCC(F)CC2)OCCO1
InChIInChI=1S/C15H27FO2/c1-12(2)4-3-9-15(17-10-11-18-15)13-5-7-14(16)8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyIZMMBDRRKRSHOX-UHFFFAOYSA-N
MW258.38 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane

2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane (PubChem CID 140568453) has the molecular formula C15H27FO2 and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane
PubChem CID140568453
Molecular FormulaC15H27FO2
Molecular Weight258.38 g/mol
Exact Mass258.20
IUPAC Name2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane
SMILESCC(C)CCCC1(C2CCC(F)CC2)OCCO1
InChIInChI=1S/C15H27FO2/c1-12(2)4-3-9-15(17-10-11-18-15)13-5-7-14(16)8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyIZMMBDRRKRSHOX-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 83158414
4-(bromomethyl)-4-(4-methylpentyl)oxane
CID 83168882
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
CID 11022381
N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
CID 83167933
3-(bromomethyl)-3-(4-methylpentyl)oxolane
CID 83169759
4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
CID 83168273
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83158284
4a-heptyl-3,6,7,8a-tetrahydro-2H-[1,4]dioxino[2,3-b][1,4]dioxine
CID 139775673
2-(5-methylhexyl)oxetane
CID 173452744
(5R,8R,14R)-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
CID 45048634
1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane
CID 123224943

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane?
The IUPAC name of 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane (CID 140568453) is 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane is CC(C)CCCC1(C2CCC(F)CC2)OCCO1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane?
The InChIKey is IZMMBDRRKRSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO2/c1-12(2)4-3-9-15(17-10-11-18-15)13-5-7-14(16)8-6-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane?
2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane has a molecular weight of 258.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-2-(4-methylpentyl)-1,3-dioxolane is sourced from PubChem (CID 140568453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).