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

C8H15F3NO+ — CID 7084591

IUPACcyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESO[C@H](C[NH2+]C1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-12-6-3-1-2-4-6/h6-7,12-13H,1-5H2/p+1/t7-/m1/s1
InChIKeyFAKWNOGFHXWHFU-SSDOTTSWSA-O
MW198.21 g/mol
LogP0.42
Rot. Bonds3

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

cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (PubChem CID 7084591) has the molecular formula C8H15F3NO+ and a molecular weight of 198.21 g/mol. Its IUPAC name is cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
PubChem CID7084591
Molecular FormulaC8H15F3NO+
Molecular Weight198.21 g/mol
Exact Mass198.11
IUPAC Namecyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESO[C@H](C[NH2+]C1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-12-6-3-1-2-4-6/h6-7,12-13H,1-5H2/p+1/t7-/m1/s1
InChIKeyFAKWNOGFHXWHFU-SSDOTTSWSA-O
XLogP0.42
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The IUPAC name of cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (CID 7084591) is cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.
What is the SMILES notation for cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The canonical SMILES for cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is O[C@H](C[NH2+]C1CCCC1)C(F)(F)F.
What is the InChIKey of cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The InChIKey is FAKWNOGFHXWHFU-SSDOTTSWSA-O. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-12-6-3-1-2-4-6/h6-7,12-13H,1-5H2/p+1/t7-/m1/s1.
What are the key properties of cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium has a molecular weight of 198.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is sourced from PubChem (CID 7084591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).