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

C11H21F2NO — CID 82005686

IUPACN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)F)CCCCC1
InChIInChI=1S/C11H21F2NO/c1-2-14-9-11(15-8-10(12)13)6-4-3-5-7-11/h10,14H,2-9H2,1H3
InChIKeyONNGCTXWPGCZSJ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.58
Rot. Bonds6

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

N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine (PubChem CID 82005686) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine
PubChem CID82005686
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC NameN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)F)CCCCC1
InChIInChI=1S/C11H21F2NO/c1-2-14-9-11(15-8-10(12)13)6-4-3-5-7-11/h10,14H,2-9H2,1H3
InChIKeyONNGCTXWPGCZSJ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.58
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]ethanamine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine (CID 82005686) is N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine is CCNCC1(OCC(F)F)CCCCC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is ONNGCTXWPGCZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-2-14-9-11(15-8-10(12)13)6-4-3-5-7-11/h10,14H,2-9H2,1H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine?
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 221.29 g/mol, XLogP of 2.58, 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]ethanamine is sourced from PubChem (CID 82005686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).