1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine

C12H17F2NO — CID 105177457

IUPAC1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2NO/c13-12(14)5-3-9(4-6-12)11(15)8-10-2-1-7-16-10/h1-2,7,9,11H,3-6,8,15H2
InChIKeyAEOYSVKAJFIBNK-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.97
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine

1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine (PubChem CID 105177457) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
PubChem CID105177457
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2NO/c13-12(14)5-3-9(4-6-12)11(15)8-10-2-1-7-16-10/h1-2,7,9,11H,3-6,8,15H2
InChIKeyAEOYSVKAJFIBNK-UHFFFAOYSA-N
XLogP2.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-1-(oxan-4-yl)ethanamine
CID 83175646
2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
CID 105087726
1-cyclopentyl-3-(furan-2-yl)propan-2-amine
CID 105029465
2-(furan-2-yl)-1-(1-methylcyclopropyl)ethanamine
CID 83182565
1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147024
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-2-yl)ethanamine
CID 83174856
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764399
1-[1-amino-2-(furan-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 83183452
2-cyclopropyl-3-(furan-2-yl)propanal
CID 83826737
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243
1-N-cyclopentyl-3-(furan-2-yl)propane-1,2-diamine
CID 117246076
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine (CID 105177457) is 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine is NC(Cc1ccco1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine?
The InChIKey is AEOYSVKAJFIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)5-3-9(4-6-12)11(15)8-10-2-1-7-16-10/h1-2,7,9,11H,3-6,8,15H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine?
1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105177457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).