1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene

C15H20F4O — CID 91374530

IUPAC1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene
SMILESCC1CCC(OCF)CC1.Cc1ccc(F)c(F)c1F
InChIInChI=1S/C8H15FO.C7H5F3/c1-7-2-4-8(5-3-7)10-6-9;1-4-2-3-5(8)7(10)6(4)9/h7-8H,2-6H2,1H3;2-3H,1H3
InChIKeySELFXDHPELJWRY-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.92
Rot. Bonds2

About 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene

1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene (PubChem CID 91374530) has the molecular formula C15H20F4O and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene
PubChem CID91374530
Molecular FormulaC15H20F4O
Molecular Weight292.32 g/mol
Exact Mass292.15
IUPAC Name1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene
SMILESCC1CCC(OCF)CC1.Cc1ccc(F)c(F)c1F
InChIInChI=1S/C8H15FO.C7H5F3/c1-7-2-4-8(5-3-7)10-6-9;1-4-2-3-5(8)7(10)6(4)9/h7-8H,2-6H2,1H3;2-3H,1H3
InChIKeySELFXDHPELJWRY-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-(4-fluorocyclohexyl)-4-methylbenzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91273380
1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene;1,2,3-trifluoro-4-methylbenzene
CID 90981281
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20705610
1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 62566177
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
CID 142370670
2,3-difluoro-1,4-dimethylbenzene;difluoro-[4-(4-methylcyclohexyl)phenyl]methanol;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;methane;molecular hydrogen;1,2,3-trifluoro-4-methylbenzene
CID 161180535
1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91103793
2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene
CID 59931486
difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 123965488
fluoromethoxycyclopropane
CID 70608961

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene?
The IUPAC name of 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene (CID 91374530) is 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene.
What is the SMILES notation for 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene?
The canonical SMILES for 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene is CC1CCC(OCF)CC1.Cc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene?
The InChIKey is SELFXDHPELJWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO.C7H5F3/c1-7-2-4-8(5-3-7)10-6-9;1-4-2-3-5(8)7(10)6(4)9/h7-8H,2-6H2,1H3;2-3H,1H3.
What are the key properties of 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene?
1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene has a molecular weight of 292.32 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-methylcyclohexane;1,2,3-trifluoro-4-methylbenzene is sourced from PubChem (CID 91374530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).