trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C14H22F3N5O — CID 129352895

IUPACtrans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1[C@H]1CCCN1Cc1nnn(CC(F)(F)F)n1
InChIInChI=1S/C14H22F3N5O/c15-14(16,17)9-22-19-13(18-20-22)8-21-7-3-5-11(21)10-4-1-2-6-12(10)23/h10-12,23H,1-9H2/t10-,11-,12-/m1/s1
InChIKeyCITCFRZXLFRLAU-IJLUTSLNSA-N
MW333.36 g/mol
LogP1.75
Rot. Bonds4

About trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129352895) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129352895
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC Nametrans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1[C@H]1CCCN1Cc1nnn(CC(F)(F)F)n1
InChIInChI=1S/C14H22F3N5O/c15-14(16,17)9-22-19-13(18-20-22)8-21-7-3-5-11(21)10-4-1-2-6-12(10)23/h10-12,23H,1-9H2/t10-,11-,12-/m1/s1
InChIKeyCITCFRZXLFRLAU-IJLUTSLNSA-N
XLogP1.75
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2S)-2-[(3R)-4-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129351568
2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339767
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 154797944
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
trans-(1R,2R)-2-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129349934
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340223
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 129352895) is trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1Cc1nnn(CC(F)(F)F)n1.
What is the InChIKey of trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is CITCFRZXLFRLAU-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H22F3N5O/c15-14(16,17)9-22-19-13(18-20-22)8-21-7-3-5-11(21)10-4-1-2-6-12(10)23/h10-12,23H,1-9H2/t10-,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 333.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129352895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).