N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine

C12H23F2NO — CID 82006372

IUPACN-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)F)CCCC1
InChIInChI=1S/C12H23F2NO/c1-11(2,3)15-9-12(6-4-5-7-12)16-8-10(13)14/h10,15H,4-9H2,1-3H3
InChIKeyLCYCYMVNSDGEFD-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.97
Rot. Bonds5

About N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 82006372) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID82006372
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC NameN-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)F)CCCC1
InChIInChI=1S/C12H23F2NO/c1-11(2,3)15-9-12(6-4-5-7-12)16-8-10(13)14/h10,15H,4-9H2,1-3H3
InChIKeyLCYCYMVNSDGEFD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine (CID 82006372) is N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(OCC(F)F)CCCC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LCYCYMVNSDGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-11(2,3)15-9-12(6-4-5-7-12)16-8-10(13)14/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 235.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82006372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).