2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile

C14H16FNO — CID 175219477

IUPAC2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile
SMILESCOC(c1cccc(F)c1C#N)C1CCCC1
InChIInChI=1S/C14H16FNO/c1-17-14(10-5-2-3-6-10)11-7-4-8-13(15)12(11)9-16/h4,7-8,10,14H,2-3,5-6H2,1H3
InChIKeyNYDIBYYJHWRLPJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.58
Rot. Bonds3

About 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile

2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile (PubChem CID 175219477) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile
PubChem CID175219477
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile
SMILESCOC(c1cccc(F)c1C#N)C1CCCC1
InChIInChI=1S/C14H16FNO/c1-17-14(10-5-2-3-6-10)11-7-4-8-13(15)12(11)9-16/h4,7-8,10,14H,2-3,5-6H2,1H3
InChIKeyNYDIBYYJHWRLPJ-UHFFFAOYSA-N
XLogP3.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-phenylacetonitrile
CID 320056
gamma-Methoxybenzenebutanenitrile
CID 97991
gamma-Ethoxybenzenebutanenitrile
CID 97967
gamma-(1-Methylethoxy)benzenebutanenitrile
CID 97973
4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97975
Methoxyphenyl(trifluoromethyl)acetonitrile
CID 589652
4-Methoxy-4-(4-methylphenyl)butanenitrile
CID 97993
2-(3-Fluorophenyl)-2-methoxyacetonitrile
CID 66070705
3-Methyl-3-phenyloxirane-2-carbonitrile
CID 538025
gamma-Ethoxy-4-methylbenzenebutanenitrile
CID 97969
2-(Methoxymethyl)benzonitrile
CID 13743590
4-Fluoro-3-(methoxymethyl)benzonitrile
CID 24699683

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile?
The IUPAC name of 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile (CID 175219477) is 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile is COC(c1cccc(F)c1C#N)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile?
The InChIKey is NYDIBYYJHWRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-17-14(10-5-2-3-6-10)11-7-4-8-13(15)12(11)9-16/h4,7-8,10,14H,2-3,5-6H2,1H3.
What are the key properties of 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile?
2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile has a molecular weight of 233.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methoxy)methyl]-6-fluorobenzonitrile is sourced from PubChem (CID 175219477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).