4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide

C8H16F2N2O2 — CID 106813313

IUPAC4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide
SMILESCC(N)CCC(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-5(11)2-3-7(14)12-4-6(13)8(9)10/h5-6,8,13H,2-4,11H2,1H3,(H,12,14)
InChIKeyRWIWDPNBIVJMLY-UHFFFAOYSA-N
MW210.22 g/mol
LogP-0.14
Rot. Bonds6

About 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide

4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide (PubChem CID 106813313) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide
PubChem CID106813313
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide
SMILESCC(N)CCC(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-5(11)2-3-7(14)12-4-6(13)8(9)10/h5-6,8,13H,2-4,11H2,1H3,(H,12,14)
InChIKeyRWIWDPNBIVJMLY-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide?
The IUPAC name of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide (CID 106813313) is 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide?
The canonical SMILES for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide is CC(N)CCC(=O)NCC(O)C(F)F.
What is the InChIKey of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide?
The InChIKey is RWIWDPNBIVJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-5(11)2-3-7(14)12-4-6(13)8(9)10/h5-6,8,13H,2-4,11H2,1H3,(H,12,14).
What are the key properties of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide?
4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide has a molecular weight of 210.22 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide is sourced from PubChem (CID 106813313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).