N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide

C9H18F2N2O2 — CID 103796492

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C9H18F2N2O2/c1-6(2)12-4-3-8(15)13-5-7(14)9(10)11/h6-7,9,12,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyRZFVTNZWDIINKF-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.12
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide (PubChem CID 103796492) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide
PubChem CID103796492
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC(O)C(F)F
InChIInChI=1S/C9H18F2N2O2/c1-6(2)12-4-3-8(15)13-5-7(14)9(10)11/h6-7,9,12,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyRZFVTNZWDIINKF-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide (CID 103796492) is N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is RZFVTNZWDIINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-6(2)12-4-3-8(15)13-5-7(14)9(10)11/h6-7,9,12,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 224.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 103796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).