2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene

C14H19F — CID 167009058

IUPAC2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene
SMILESCCC1CC1CCc1cc(F)ccc1C
InChIInChI=1S/C14H19F/c1-3-11-8-13(11)6-5-12-9-14(15)7-4-10(12)2/h4,7,9,11,13H,3,5-6,8H2,1-2H3
InChIKeyYROMSVTVWVQIAE-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.11
Rot. Bonds4

About 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene

2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene (PubChem CID 167009058) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene
PubChem CID167009058
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene
SMILESCCC1CC1CCc1cc(F)ccc1C
InChIInChI=1S/C14H19F/c1-3-11-8-13(11)6-5-12-9-14(15)7-4-10(12)2/h4,7,9,11,13H,3,5-6,8H2,1-2H3
InChIKeyYROMSVTVWVQIAE-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
CID 145488932
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 105374785
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(5-fluoro-2-methylphenyl)heptan-4-one
CID 105375483
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 105375553
2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene?
The IUPAC name of 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene (CID 167009058) is 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene is CCC1CC1CCc1cc(F)ccc1C.
What is the InChIKey of 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene?
The InChIKey is YROMSVTVWVQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-3-11-8-13(11)6-5-12-9-14(15)7-4-10(12)2/h4,7,9,11,13H,3,5-6,8H2,1-2H3.
What are the key properties of 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene?
2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene has a molecular weight of 206.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylcyclopropyl)ethyl]-4-fluoro-1-methylbenzene is sourced from PubChem (CID 167009058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).