2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene

C13H17FO — CID 161365131

IUPAC2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
SMILESCOC1(c2ccc(C)c(F)c2)CCCC1
InChIInChI=1S/C13H17FO/c1-10-5-6-11(9-12(10)14)13(15-2)7-3-4-8-13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHJMJNQCOENCBOV-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.55
Rot. Bonds2

About 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene

2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene (PubChem CID 161365131) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
PubChem CID161365131
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
SMILESCOC1(c2ccc(C)c(F)c2)CCCC1
InChIInChI=1S/C13H17FO/c1-10-5-6-11(9-12(10)14)13(15-2)7-3-4-8-13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHJMJNQCOENCBOV-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene?
The IUPAC name of 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene (CID 161365131) is 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene is COC1(c2ccc(C)c(F)c2)CCCC1.
What is the InChIKey of 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene?
The InChIKey is HJMJNQCOENCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-10-5-6-11(9-12(10)14)13(15-2)7-3-4-8-13/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene?
2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene has a molecular weight of 208.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene is sourced from PubChem (CID 161365131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).