1-[difluoro(methoxy)methyl]-4-pentylcyclohexane

C13H24F2O — CID 20705628

IUPAC1-[difluoro(methoxy)methyl]-4-pentylcyclohexane
SMILESCCCCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C13H24F2O/c1-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16-2/h11-12H,3-10H2,1-2H3
InChIKeyUUZHKXBEUDTLAF-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.61
Rot. Bonds6

About 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane

1-[difluoro(methoxy)methyl]-4-pentylcyclohexane (PubChem CID 20705628) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-pentylcyclohexane
PubChem CID20705628
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name1-[difluoro(methoxy)methyl]-4-pentylcyclohexane
SMILESCCCCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C13H24F2O/c1-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16-2/h11-12H,3-10H2,1-2H3
InChIKeyUUZHKXBEUDTLAF-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexane;pentylcyclopropane
CID 159592467
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
1-tert-butyl-4-tetradecylcyclohexane
CID 71420445
1-fluoro-4-heptylcyclohexane
CID 71196298
4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
CID 141298262
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
tetradecylcycloundecane
CID 169026040

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane (CID 20705628) is 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane is CCCCCC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane?
The InChIKey is UUZHKXBEUDTLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane?
1-[difluoro(methoxy)methyl]-4-pentylcyclohexane has a molecular weight of 234.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-pentylcyclohexane is sourced from PubChem (CID 20705628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).