N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine

C12H21F2NO — CID 82005995

IUPACN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)COC1(CNC2CC2)CCCCC1
InChIInChI=1S/C12H21F2NO/c13-11(14)8-16-12(6-2-1-3-7-12)9-15-10-4-5-10/h10-11,15H,1-9H2
InChIKeyVSIBALUWOSAJCS-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine

N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 82005995) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID82005995
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC NameN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)COC1(CNC2CC2)CCCCC1
InChIInChI=1S/C12H21F2NO/c13-11(14)8-16-12(6-2-1-3-7-12)9-15-10-4-5-10/h10-11,15H,1-9H2
InChIKeyVSIBALUWOSAJCS-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.72
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)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine (CID 82005995) is N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine is FC(F)COC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is VSIBALUWOSAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-11(14)8-16-12(6-2-1-3-7-12)9-15-10-4-5-10/h10-11,15H,1-9H2.
What are the key properties of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 233.30 g/mol, XLogP of 2.72, 6 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)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 82005995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).