(2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol

C13H24F3NO — CID 99627295

IUPAC(2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol
SMILESC[C@H](CN[C@@H]1CCC[C@H](C(F)(F)F)C1)C[C@H](C)O
InChIInChI=1S/C13H24F3NO/c1-9(6-10(2)18)8-17-12-5-3-4-11(7-12)13(14,15)16/h9-12,17-18H,3-8H2,1-2H3/t9-,10-,11-,12+/m0/s1
InChIKeyPPFZGSWESYEFCI-FIQHERPVSA-N
MW267.33 g/mol
LogP3.10
Rot. Bonds5

About (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol

(2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol (PubChem CID 99627295) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol
PubChem CID99627295
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name(2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol
SMILESC[C@H](CN[C@@H]1CCC[C@H](C(F)(F)F)C1)C[C@H](C)O
InChIInChI=1S/C13H24F3NO/c1-9(6-10(2)18)8-17-12-5-3-4-11(7-12)13(14,15)16/h9-12,17-18H,3-8H2,1-2H3/t9-,10-,11-,12+/m0/s1
InChIKeyPPFZGSWESYEFCI-FIQHERPVSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol?
The IUPAC name of (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol (CID 99627295) is (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol.
What is the SMILES notation for (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol?
The canonical SMILES for (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol is C[C@H](CN[C@@H]1CCC[C@H](C(F)(F)F)C1)C[C@H](C)O.
What is the InChIKey of (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol?
The InChIKey is PPFZGSWESYEFCI-FIQHERPVSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(6-10(2)18)8-17-12-5-3-4-11(7-12)13(14,15)16/h9-12,17-18H,3-8H2,1-2H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol?
(2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pentan-2-ol is sourced from PubChem (CID 99627295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).