3-amino-4,5,5,5-tetrafluoropentanamide;hydrate

C5H10F4N2O2 — CID 170876394

IUPAC3-amino-4,5,5,5-tetrafluoropentanamide;hydrate
SMILESNC(=O)CC(N)C(F)C(F)(F)F.O
InChIInChI=1S/C5H8F4N2O.H2O/c6-4(5(7,8)9)2(10)1-3(11)12;/h2,4H,1,10H2,(H2,11,12);1H2
InChIKeyJBLMJAWSAVFOLX-UHFFFAOYSA-N
MW206.14 g/mol
LogP-0.74
Rot. Bonds3

About 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate

3-amino-4,5,5,5-tetrafluoropentanamide;hydrate (PubChem CID 170876394) has the molecular formula C5H10F4N2O2 and a molecular weight of 206.14 g/mol. Its IUPAC name is 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate.

Molecular Properties

Compound Name3-amino-4,5,5,5-tetrafluoropentanamide;hydrate
PubChem CID170876394
Molecular FormulaC5H10F4N2O2
Molecular Weight206.14 g/mol
Exact Mass206.07
IUPAC Name3-amino-4,5,5,5-tetrafluoropentanamide;hydrate
SMILESNC(=O)CC(N)C(F)C(F)(F)F.O
InChIInChI=1S/C5H8F4N2O.H2O/c6-4(5(7,8)9)2(10)1-3(11)12;/h2,4H,1,10H2,(H2,11,12);1H2
InChIKeyJBLMJAWSAVFOLX-UHFFFAOYSA-N
XLogP-0.74
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4,4-tetrafluorobutanamide
CID 143771998
3-(dihydroxymethyl)-4,4,4-trifluorobutanamide
CID 89116563
3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide
CID 170876102
(3S)-4,4,4-trifluoro-3-(methylamino)butanamide
CID 124668584
3,4-diaminobutanamide
CID 66426891
(4S)-3-amino-4,5-dihydroxypentanamide
CID 55255995
(2-amino-3,3,3-trifluoropropyl) carbamate
CID 175008737
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
4,4,4-trifluoro-3-[(propan-2-ylamino)methyl]butanamide
CID 90773870
4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
CID 163555520
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate?
The IUPAC name of 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate (CID 170876394) is 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate.
What is the SMILES notation for 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate?
The canonical SMILES for 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate is NC(=O)CC(N)C(F)C(F)(F)F.O.
What is the InChIKey of 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate?
The InChIKey is JBLMJAWSAVFOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4N2O.H2O/c6-4(5(7,8)9)2(10)1-3(11)12;/h2,4H,1,10H2,(H2,11,12);1H2.
What are the key properties of 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate?
3-amino-4,5,5,5-tetrafluoropentanamide;hydrate has a molecular weight of 206.14 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,5,5-tetrafluoropentanamide;hydrate is sourced from PubChem (CID 170876394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).