1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol

C13H22F3NO3 — CID 167959011

IUPAC1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol
SMILESC[C@@H]1[C@H](C(F)(F)F)OCCN1CC(O)C1(O)CCCC1
InChIInChI=1S/C13H22F3NO3/c1-9-11(13(14,15)16)20-7-6-17(9)8-10(18)12(19)4-2-3-5-12/h9-11,18-19H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyUSUKLLBXZQSAEM-GLYLRITDSA-N
MW297.32 g/mol
LogP1.30
Rot. Bonds3

About 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol

1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol (PubChem CID 167959011) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol
PubChem CID167959011
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol
SMILESC[C@@H]1[C@H](C(F)(F)F)OCCN1CC(O)C1(O)CCCC1
InChIInChI=1S/C13H22F3NO3/c1-9-11(13(14,15)16)20-7-6-17(9)8-10(18)12(19)4-2-3-5-12/h9-11,18-19H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyUSUKLLBXZQSAEM-GLYLRITDSA-N
XLogP1.30
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
CID 86792788
4,4,4-Trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-ol
CID 79060223
(2S)-1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
CID 97881459
(2R)-1,1,1-trifluoro-3-(9-oxa-6-azaspiro[4.5]decan-6-yl)propan-2-ol
CID 97881460
(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
CID 99832114
(2R)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
CID 99832115
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485900
5,5,5-Trifluoro-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-ol
CID 113326908
2-[2,2-Difluoroethyl(6-oxaspiro[4.5]decan-9-yl)amino]ethanol
CID 113965063
2-(3,3-Difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 114224708
[4-[(3,3-Difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 114225050
[4-[(3,3-Difluorocyclopentyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114225056

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol (CID 167959011) is 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol is C[C@@H]1[C@H](C(F)(F)F)OCCN1CC(O)C1(O)CCCC1.
What is the InChIKey of 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol?
The InChIKey is USUKLLBXZQSAEM-GLYLRITDSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-9-11(13(14,15)16)20-7-6-17(9)8-10(18)12(19)4-2-3-5-12/h9-11,18-19H,2-8H2,1H3/t9-,10?,11-/m1/s1.
What are the key properties of 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol?
1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol has a molecular weight of 297.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 167959011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).