(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene

C18H21F3N2O — CID 143517588

IUPAC(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene
SMILESFc1ccc(F)c(F)c1.N[C@@H]1CCCC(N2Cc3cocc3C2)C1
InChIInChI=1S/C12H18N2O.C6H3F3/c13-11-2-1-3-12(4-11)14-5-9-7-15-8-10(9)6-14;7-4-1-2-5(8)6(9)3-4/h7-8,11-12H,1-6,13H2;1-3H/t11-,12?;/m1./s1
InChIKeyVGAKPUPLPZFXJY-BAVFUAOSSA-N
MW338.37 g/mol
LogP3.97
Rot. Bonds1

About (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene

(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene (PubChem CID 143517588) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene.

Molecular Properties

Compound Name(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene
PubChem CID143517588
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene
SMILESFc1ccc(F)c(F)c1.N[C@@H]1CCCC(N2Cc3cocc3C2)C1
InChIInChI=1S/C12H18N2O.C6H3F3/c13-11-2-1-3-12(4-11)14-5-9-7-15-8-10(9)6-14;7-4-1-2-5(8)6(9)3-4/h7-8,11-12H,1-6,13H2;1-3H/t11-,12?;/m1./s1
InChIKeyVGAKPUPLPZFXJY-BAVFUAOSSA-N
XLogP3.97
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene
CID 143674559
1,2,4-trifluorobenzene;(3S,5R)-5-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]oxan-3-amine
CID 143529899
3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine
CID 64716725
(3S)-5-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)oxan-3-amine;1,2,4-trifluorobenzene
CID 143583699
4-(3-aminocyclohexyl)piperazine-2,6-dione
CID 79469336
3-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)cyclohexan-1-amine
CID 123835006
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
CID 106674357
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
(2R,3S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 153265981
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541
8-[1-(3,4-difluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233291

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene?
The IUPAC name of (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene (CID 143517588) is (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene.
What is the SMILES notation for (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene?
The canonical SMILES for (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene is Fc1ccc(F)c(F)c1.N[C@@H]1CCCC(N2Cc3cocc3C2)C1.
What is the InChIKey of (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene?
The InChIKey is VGAKPUPLPZFXJY-BAVFUAOSSA-N. The full InChI is InChI=1S/C12H18N2O.C6H3F3/c13-11-2-1-3-12(4-11)14-5-9-7-15-8-10(9)6-14;7-4-1-2-5(8)6(9)3-4/h7-8,11-12H,1-6,13H2;1-3H/t11-,12?;/m1./s1.
What are the key properties of (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene?
(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene has a molecular weight of 338.37 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene is sourced from PubChem (CID 143517588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).