(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

C14H18F3NO3 — CID 75529443

IUPAC(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)10-3-1-2-8(4-10)6-18-11-5-9(7-19)12(20)13(11)21/h1-4,9,11-13,18-21H,5-7H2/t9-,11-,12-,13+/m1/s1
InChIKeyFBCBBVAHCYDTAJ-JHEVNIALSA-N
MW305.30 g/mol
LogP0.90
Rot. Bonds4

About (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (PubChem CID 75529443) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
PubChem CID75529443
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)10-3-1-2-8(4-10)6-18-11-5-9(7-19)12(20)13(11)21/h1-4,9,11-13,18-21H,5-7H2/t9-,11-,12-,13+/m1/s1
InChIKeyFBCBBVAHCYDTAJ-JHEVNIALSA-N
XLogP0.90
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol with MolForge

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Related Compounds

(R)-4-Benzylamino-5-methyl-cyclopentane-1,2,3-triol
CID 44319508
Aminocyclopentitetrol, 2c
CID 57339713
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]oxolane-3,4-diol
CID 44585383
(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 75529444
(1S,2R,3R,5R)-3-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
CID 75529563
(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
CID 75529564
(1r,2r,3s,4s,5r)-5-(Benzylamino)cyclopentane-1,2,3,4-Tetrol
CID 11987838
(1R,2S,3R,5R)-3-[(3-chlorophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 75529440
(3S)-2-benzyl-3-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane-5,6-diol
CID 178143352
benzyl-[(1S,2R,3R,4R,5R)-2,3,4-trihydroxy-5-methylcyclopentyl]azanium;2,2,2-trifluoroacetate
CID 10545860
2-[[3-(Trifluoromethyl)phenyl]methylamino]cyclopentan-1-ol
CID 60713459
(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
CID 71694036

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (CID 75529443) is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is OC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The InChIKey is FBCBBVAHCYDTAJ-JHEVNIALSA-N. The full InChI is InChI=1S/C14H18F3NO3/c15-14(16,17)10-3-1-2-8(4-10)6-18-11-5-9(7-19)12(20)13(11)21/h1-4,9,11-13,18-21H,5-7H2/t9-,11-,12-,13+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol has a molecular weight of 305.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 75529443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).