(3-fluorophenyl)methyl 2-cyclopentylacetate

C14H17FO2 — CID 78760193

IUPAC(3-fluorophenyl)methyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCc1cccc(F)c1
InChIInChI=1S/C14H17FO2/c15-13-7-3-6-12(8-13)10-17-14(16)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2
InChIKeyKDMJUTLVRIQICD-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.45
Rot. Bonds4

About (3-fluorophenyl)methyl 2-cyclopentylacetate

(3-fluorophenyl)methyl 2-cyclopentylacetate (PubChem CID 78760193) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-cyclopentylacetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-cyclopentylacetate
PubChem CID78760193
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(3-fluorophenyl)methyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCc1cccc(F)c1
InChIInChI=1S/C14H17FO2/c15-13-7-3-6-12(8-13)10-17-14(16)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2
InChIKeyKDMJUTLVRIQICD-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-diaminophenyl)methyl 2-cyclohexylacetate
CID 89125069
benzyl 2-[(1S,3R)-3-methylcyclohexyl]acetate
CID 135265580
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867
benzyl 2-cyclohexylacetate;2-methylbenzene-1,3-dicarboxylic acid
CID 174482576
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
(3-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760378
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
(4-cyanophenyl)methyl 2-cyclopentylacetate
CID 2405362
2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 61343576
(3-bromophenyl)methyl 2-(azetidin-3-yl)acetate
CID 82824071
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-cyclopentylacetate?
The IUPAC name of (3-fluorophenyl)methyl 2-cyclopentylacetate (CID 78760193) is (3-fluorophenyl)methyl 2-cyclopentylacetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-cyclopentylacetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-cyclopentylacetate is O=C(CC1CCCC1)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-cyclopentylacetate?
The InChIKey is KDMJUTLVRIQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-13-7-3-6-12(8-13)10-17-14(16)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2.
What are the key properties of (3-fluorophenyl)methyl 2-cyclopentylacetate?
(3-fluorophenyl)methyl 2-cyclopentylacetate has a molecular weight of 236.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-cyclopentylacetate is sourced from PubChem (CID 78760193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).