2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide

C9H17F3N2O2 — CID 106171924

IUPAC2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide
SMILESCC(CCCC(F)(F)F)NCC(O)C(N)=O
InChIInChI=1S/C9H17F3N2O2/c1-6(3-2-4-9(10,11)12)14-5-7(15)8(13)16/h6-7,14-15H,2-5H2,1H3,(H2,13,16)
InChIKeyNIHQKCHVGCLLHP-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.54
Rot. Bonds7

About 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide

2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide (PubChem CID 106171924) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide
PubChem CID106171924
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide
SMILESCC(CCCC(F)(F)F)NCC(O)C(N)=O
InChIInChI=1S/C9H17F3N2O2/c1-6(3-2-4-9(10,11)12)14-5-7(15)8(13)16/h6-7,14-15H,2-5H2,1H3,(H2,13,16)
InChIKeyNIHQKCHVGCLLHP-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70871182
(2S,3S)-3-Amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
N-cyclopropyl-5,5-difluoro-2-hydroxy-3-(methylamino)pentanamide
CID 89671888
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349745
N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide
CID 139329211
N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide
CID 143749458
N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
CID 63901683
3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795775
N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide
CID 103796492
N-propan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
CID 104419957
3-[(3,3-difluoro-2-hydroxypropyl)amino]-N-propan-2-ylpropanamide
CID 105645243
3-(ethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 105645988

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide (CID 106171924) is 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide is CC(CCCC(F)(F)F)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide?
The InChIKey is NIHQKCHVGCLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(3-2-4-9(10,11)12)14-5-7(15)8(13)16/h6-7,14-15H,2-5H2,1H3,(H2,13,16).
What are the key properties of 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide?
2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(6,6,6-trifluorohexan-2-ylamino)propanamide is sourced from PubChem (CID 106171924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).