[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine

C15H21F2NO — CID 116789866

IUPAC[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1COCC(F)(F)c1ccccc1
InChIInChI=1S/C15H21F2NO/c16-15(17,14-7-2-1-3-8-14)11-19-10-13-6-4-5-12(13)9-18/h1-3,7-8,12-13H,4-6,9-11,18H2
InChIKeyDLNQCRLUCHVLSA-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds6

About [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine

[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine (PubChem CID 116789866) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine
PubChem CID116789866
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1COCC(F)(F)c1ccccc1
InChIInChI=1S/C15H21F2NO/c16-15(17,14-7-2-1-3-8-14)11-19-10-13-6-4-5-12(13)9-18/h1-3,7-8,12-13H,4-6,9-11,18H2
InChIKeyDLNQCRLUCHVLSA-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine (CID 116789866) is [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine is NCC1CCCC1COCC(F)(F)c1ccccc1.
What is the InChIKey of [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine?
The InChIKey is DLNQCRLUCHVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-15(17,14-7-2-1-3-8-14)11-19-10-13-6-4-5-12(13)9-18/h1-3,7-8,12-13H,4-6,9-11,18H2.
What are the key properties of [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine?
[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 116789866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).