N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine

C13H21F2NO — CID 114216076

IUPACN-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO/c1-2-16-12(11-6-4-8-17-11)10-5-3-7-13(14,15)9-10/h6,10,12,16H,2-5,7-9H2,1H3
InChIKeyHUTUPKIFUHIWAE-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.09
Rot. Bonds4

About N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine

N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine (PubChem CID 114216076) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
PubChem CID114216076
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC NameN-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO/c1-2-16-12(11-6-4-8-17-11)10-5-3-7-13(14,15)9-10/h6,10,12,16H,2-5,7-9H2,1H3
InChIKeyHUTUPKIFUHIWAE-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
CID 91097016
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine (CID 114216076) is N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine is CCNC(C1=CCCO1)C1CCCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The InChIKey is HUTUPKIFUHIWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-2-16-12(11-6-4-8-17-11)10-5-3-7-13(14,15)9-10/h6,10,12,16H,2-5,7-9H2,1H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine has a molecular weight of 245.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 114216076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).