cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium

C10H19F3NO+ — CID 7153088

IUPACcyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESO[C@H](C[NH2+]CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2/p+1/t9-/m1/s1
InChIKeyKOAIXGJVLJRIMG-SECBINFHSA-O
MW226.26 g/mol
LogP1.05
Rot. Bonds4

About cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium

cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (PubChem CID 7153088) has the molecular formula C10H19F3NO+ and a molecular weight of 226.26 g/mol. Its IUPAC name is cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namecyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
PubChem CID7153088
Molecular FormulaC10H19F3NO+
Molecular Weight226.26 g/mol
Exact Mass226.14
IUPAC Namecyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESO[C@H](C[NH2+]CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2/p+1/t9-/m1/s1
InChIKeyKOAIXGJVLJRIMG-SECBINFHSA-O
XLogP1.05
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The IUPAC name of cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (CID 7153088) is cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.
What is the SMILES notation for cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The canonical SMILES for cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is O[C@H](C[NH2+]CC1CCCCC1)C(F)(F)F.
What is the InChIKey of cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The InChIKey is KOAIXGJVLJRIMG-SECBINFHSA-O. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h8-9,14-15H,1-7H2/p+1/t9-/m1/s1.
What are the key properties of cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium has a molecular weight of 226.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is sourced from PubChem (CID 7153088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).