cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol

C16H23F3N2O3 — CID 75367922

IUPACcis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol
SMILESCC(C)NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C16H23F3N2O3/c1-10(2)21-8-15(5-12(22)13(23)6-15)9-24-14-4-3-11(7-20-14)16(17,18)19/h3-4,7,10,12-13,21-23H,5-6,8-9H2,1-2H3/t12-,13+,15?
InChIKeySGQOOZQEEDOGEN-NNQSOWQGSA-N
MW348.37 g/mol
LogP1.98
Rot. Bonds6

About cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol

cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol (PubChem CID 75367922) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol
PubChem CID75367922
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Namecis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol
SMILESCC(C)NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C16H23F3N2O3/c1-10(2)21-8-15(5-12(22)13(23)6-15)9-24-14-4-3-11(7-20-14)16(17,18)19/h3-4,7,10,12-13,21-23H,5-6,8-9H2,1-2H3/t12-,13+,15?
InChIKeySGQOOZQEEDOGEN-NNQSOWQGSA-N
XLogP1.98
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol (CID 75367922) is cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol is CC(C)NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol?
The InChIKey is SGQOOZQEEDOGEN-NNQSOWQGSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c1-10(2)21-8-15(5-12(22)13(23)6-15)9-24-14-4-3-11(7-20-14)16(17,18)19/h3-4,7,10,12-13,21-23H,5-6,8-9H2,1-2H3/t12-,13+,15?.
What are the key properties of cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol?
cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol has a molecular weight of 348.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75367922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).