(2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol

C9H20FNO — CID 125427318

IUPAC(2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol
SMILESCC[C@H](C)C[C@@](N)(CO)CCF
InChIInChI=1S/C9H20FNO/c1-3-8(2)6-9(11,7-12)4-5-10/h8,12H,3-7,11H2,1-2H3/t8-,9+/m0/s1
InChIKeyWXBWPXICKSLHJA-DTWKUNHWSA-N
MW177.26 g/mol
LogP1.47
Rot. Bonds6

About (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol

(2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol (PubChem CID 125427318) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol.

Molecular Properties

Compound Name(2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol
PubChem CID125427318
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name(2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol
SMILESCC[C@H](C)C[C@@](N)(CO)CCF
InChIInChI=1S/C9H20FNO/c1-3-8(2)6-9(11,7-12)4-5-10/h8,12H,3-7,11H2,1-2H3/t8-,9+/m0/s1
InChIKeyWXBWPXICKSLHJA-DTWKUNHWSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol?
The IUPAC name of (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol (CID 125427318) is (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol.
What is the SMILES notation for (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol?
The canonical SMILES for (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol is CC[C@H](C)C[C@@](N)(CO)CCF.
What is the InChIKey of (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol?
The InChIKey is WXBWPXICKSLHJA-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H20FNO/c1-3-8(2)6-9(11,7-12)4-5-10/h8,12H,3-7,11H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol?
(2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol has a molecular weight of 177.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-2-(2-fluoroethyl)-4-methylhexan-1-ol is sourced from PubChem (CID 125427318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).