(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate

C13H16FNO2 — CID 63932845

IUPAC(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
SMILESNC1(C(=O)OCc2ccccc2F)CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-6-2-1-5-10(11)9-17-12(16)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-9,15H2
InChIKeyUNPDCJYEZRPVEY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.14
Rot. Bonds3

About (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate

(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate (PubChem CID 63932845) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
PubChem CID63932845
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
SMILESNC1(C(=O)OCc2ccccc2F)CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-6-2-1-5-10(11)9-17-12(16)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-9,15H2
InChIKeyUNPDCJYEZRPVEY-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 61278448
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
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phenyl 1-aminocyclopentane-1-carboxylate
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(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
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1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
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CID 66714923
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
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[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate (CID 63932845) is (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate is NC1(C(=O)OCc2ccccc2F)CCCC1.
What is the InChIKey of (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
The InChIKey is UNPDCJYEZRPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-6-2-1-5-10(11)9-17-12(16)13(15)7-3-4-8-13/h1-2,5-6H,3-4,7-9,15H2.
What are the key properties of (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate?
(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 63932845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).