cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate

C15H13FO2 — CID 114088299

IUPACcyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
SMILESO=C(OCC1CC1)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H13FO2/c16-14-8-7-13(11-3-1-2-4-12(11)14)15(17)18-9-10-5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyXBFJVOQUHVGSDN-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.55
Rot. Bonds3

About cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate

cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate (PubChem CID 114088299) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
PubChem CID114088299
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Namecyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
SMILESO=C(OCC1CC1)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H13FO2/c16-14-8-7-13(11-3-1-2-4-12(11)14)15(17)18-9-10-5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyXBFJVOQUHVGSDN-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate
CID 154360218
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
CID 68534065
cyclopropylmethyl 3-amino-4-fluorobenzoate
CID 61150324
cyclopentylmethyl 2-fluoro-5-methylbenzoate
CID 62958889
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
(4-hydroxycyclohexyl)methyl 1-methylindole-3-carboxylate
CID 140552406
ethyl 2-(4-fluoronaphthalen-1-yl)-2-oxoacetate
CID 22475340
3-methylbutan-2-yl 4-fluoronaphthalene-1-carboxylate
CID 114088303
3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
CID 117346682

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate?
The IUPAC name of cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate (CID 114088299) is cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate?
The canonical SMILES for cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate is O=C(OCC1CC1)c1ccc(F)c2ccccc12.
What is the InChIKey of cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate?
The InChIKey is XBFJVOQUHVGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-14-8-7-13(11-3-1-2-4-12(11)14)15(17)18-9-10-5-6-10/h1-4,7-8,10H,5-6,9H2.
What are the key properties of cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate?
cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate is sourced from PubChem (CID 114088299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).