(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide

C13H22F6N2O2 — CID 118882617

IUPAC(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN(CCC(F)(F)F)CCC(F)(F)F)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H22F6N2O2/c1-9(10(22)8-11(20)23)2-5-21(6-3-12(14,15)16)7-4-13(17,18)19/h9-10,22H,2-8H2,1H3,(H2,20,23)/t9-,10+/m1/s1
InChIKeyORHOHDRVURZMKL-ZJUUUORDSA-N
MW352.32 g/mol
LogP2.46
Rot. Bonds10

About (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide

(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide (PubChem CID 118882617) has the molecular formula C13H22F6N2O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide
PubChem CID118882617
Molecular FormulaC13H22F6N2O2
Molecular Weight352.32 g/mol
Exact Mass352.16
IUPAC Name(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN(CCC(F)(F)F)CCC(F)(F)F)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H22F6N2O2/c1-9(10(22)8-11(20)23)2-5-21(6-3-12(14,15)16)7-4-13(17,18)19/h9-10,22H,2-8H2,1H3,(H2,20,23)/t9-,10+/m1/s1
InChIKeyORHOHDRVURZMKL-ZJUUUORDSA-N
XLogP2.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide?
The IUPAC name of (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide (CID 118882617) is (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide?
The canonical SMILES for (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide is C[C@H](CCN(CCC(F)(F)F)CCC(F)(F)F)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide?
The InChIKey is ORHOHDRVURZMKL-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22F6N2O2/c1-9(10(22)8-11(20)23)2-5-21(6-3-12(14,15)16)7-4-13(17,18)19/h9-10,22H,2-8H2,1H3,(H2,20,23)/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide?
(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide has a molecular weight of 352.32 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide is sourced from PubChem (CID 118882617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).