(2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol

C9H19F3NO2P — CID 129190340

IUPAC(2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC[C@](CO)(N[C@H](P)CO)C(F)(F)F
InChIInChI=1S/C9H19F3NO2P/c1-2-3-4-8(6-15,9(10,11)12)13-7(16)5-14/h7,13-15H,2-6,16H2,1H3/t7-,8-/m1/s1
InChIKeyKSIZPDGMQRJEAT-HTQZYQBOSA-N
MW261.22 g/mol
LogP1.25
Rot. Bonds7

About (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol

(2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol (PubChem CID 129190340) has the molecular formula C9H19F3NO2P and a molecular weight of 261.22 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
PubChem CID129190340
Molecular FormulaC9H19F3NO2P
Molecular Weight261.22 g/mol
Exact Mass261.11
IUPAC Name(2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC[C@](CO)(N[C@H](P)CO)C(F)(F)F
InChIInChI=1S/C9H19F3NO2P/c1-2-3-4-8(6-15,9(10,11)12)13-7(16)5-14/h7,13-15H,2-6,16H2,1H3/t7-,8-/m1/s1
InChIKeyKSIZPDGMQRJEAT-HTQZYQBOSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
The IUPAC name of (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol (CID 129190340) is (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol is CCCC[C@](CO)(N[C@H](P)CO)C(F)(F)F.
What is the InChIKey of (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
The InChIKey is KSIZPDGMQRJEAT-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19F3NO2P/c1-2-3-4-8(6-15,9(10,11)12)13-7(16)5-14/h7,13-15H,2-6,16H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
(2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol has a molecular weight of 261.22 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-hydroxy-1-phosphanylethyl]amino]-2-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 129190340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).