4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol

C14H27F3N2O2 — CID 54256197

IUPAC4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol
SMILESCCN(C)C(F)(F)C(O)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C14H27F3N2O2/c1-3-19(2)14(16,17)13(15,21)12(20)11(18)9-10-7-5-4-6-8-10/h10-12,20-21H,3-9,18H2,1-2H3
InChIKeyRAGCLAWKDYIAFX-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.85
Rot. Bonds7

About 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol

4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol (PubChem CID 54256197) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol.

Molecular Properties

Compound Name4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol
PubChem CID54256197
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol
SMILESCCN(C)C(F)(F)C(O)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C14H27F3N2O2/c1-3-19(2)14(16,17)13(15,21)12(20)11(18)9-10-7-5-4-6-8-10/h10-12,20-21H,3-9,18H2,1-2H3
InChIKeyRAGCLAWKDYIAFX-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
2,5-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18939543
5-Amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
CID 19391141
(4R,5S)-5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
CID 22855346
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 57282119
(1S,2R,3S)-3-amino-1-cyclopropyl-4-(4,4-difluorocyclohexyl)butane-1,2-diol
CID 57305019
(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
CID 67807670
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70047398
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70047402
4-Amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70048102
4-Amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
CID 70048103
2-Amino-1-cyclohexyl-7,7,7-trifluoro-5-(methylamino)heptane-3,4-diol
CID 70048104

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol?
The IUPAC name of 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol (CID 54256197) is 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol.
What is the SMILES notation for 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol?
The canonical SMILES for 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol is CCN(C)C(F)(F)C(O)(F)C(O)C(N)CC1CCCCC1.
What is the InChIKey of 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol?
The InChIKey is RAGCLAWKDYIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-3-19(2)14(16,17)13(15,21)12(20)11(18)9-10-7-5-4-6-8-10/h10-12,20-21H,3-9,18H2,1-2H3.
What are the key properties of 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol?
4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol has a molecular weight of 312.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol is sourced from PubChem (CID 54256197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).