1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene

C16H19F3O — CID 86748404

IUPAC1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene
SMILESCOC=C1CCC(CCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H19F3O/c1-20-10-12-5-2-11(3-6-12)4-7-13-8-14(17)16(19)15(18)9-13/h8-11H,2-7H2,1H3/b12-10-
InChIKeyPBZDZGHUODSAGD-BENRWUELSA-N
MW284.32 g/mol
LogP4.76
Rot. Bonds4

About 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene

1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene (PubChem CID 86748404) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene
PubChem CID86748404
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene
SMILESCOC=C1CCC(CCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H19F3O/c1-20-10-12-5-2-11(3-6-12)4-7-13-8-14(17)16(19)15(18)9-13/h8-11H,2-7H2,1H3/b12-10-
InChIKeyPBZDZGHUODSAGD-BENRWUELSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]benzene
CID 67589901
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 67588710
5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 22446764
1,2,3-trifluoro-5-[2-[4-(4-hept-4-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54493885
1,2,3-trifluoro-5-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 67590146
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
1,2,3-trifluoro-5-[2-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54125940
1,2,3-trifluoro-5-[2-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54111365
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
1-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]cyclohexane-1-carbaldehyde
CID 54494816
1,3-difluoro-5-[2-[4-[(E)-hept-4-enyl]cyclohexyl]ethyl]-2-(trifluoromethoxy)benzene
CID 67588690
1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane
CID 139789212

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene (CID 86748404) is 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene is COC=C1CCC(CCc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene?
The InChIKey is PBZDZGHUODSAGD-BENRWUELSA-N. The full InChI is InChI=1S/C16H19F3O/c1-20-10-12-5-2-11(3-6-12)4-7-13-8-14(17)16(19)15(18)9-13/h8-11H,2-7H2,1H3/b12-10-.
What are the key properties of 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene?
1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene has a molecular weight of 284.32 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 86748404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).