[(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium

C10H19F3NO+ — CID 2315330

IUPAC[(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium
SMILES[NH3+][C@@H](CC1CCCCC1)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/p+1/t8-,9-/m0/s1
InChIKeyHAWYUDDIJZYSRJ-IUCAKERBSA-O
MW226.26 g/mol
LogP1.49
Rot. Bonds3

About [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium

[(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium (PubChem CID 2315330) has the molecular formula C10H19F3NO+ and a molecular weight of 226.26 g/mol. Its IUPAC name is [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium
PubChem CID2315330
Molecular FormulaC10H19F3NO+
Molecular Weight226.26 g/mol
Exact Mass226.14
IUPAC Name[(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium
SMILES[NH3+][C@@H](CC1CCCCC1)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/p+1/t8-,9-/m0/s1
InChIKeyHAWYUDDIJZYSRJ-IUCAKERBSA-O
XLogP1.49
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium?
The IUPAC name of [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium (CID 2315330) is [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium.
What is the SMILES notation for [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium?
The canonical SMILES for [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium is [NH3+][C@@H](CC1CCCCC1)[C@H](O)C(F)(F)F.
What is the InChIKey of [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium?
The InChIKey is HAWYUDDIJZYSRJ-IUCAKERBSA-O. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/p+1/t8-,9-/m0/s1.
What are the key properties of [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium?
[(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium has a molecular weight of 226.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-yl]azanium is sourced from PubChem (CID 2315330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).