(4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one

C6H8F5NO — CID 166720397

IUPAC(4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one
SMILESCN[C@H](C)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-3(12-2)5(7,8)4(13)6(9,10)11/h3,12H,1-2H3/t3-/m1/s1
InChIKeyATCKRQCXZHBANE-GSVOUGTGSA-N
MW205.13 g/mol
LogP1.36
Rot. Bonds3

About (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one

(4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one (PubChem CID 166720397) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one
PubChem CID166720397
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name(4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one
SMILESCN[C@H](C)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-3(12-2)5(7,8)4(13)6(9,10)11/h3,12H,1-2H3/t3-/m1/s1
InChIKeyATCKRQCXZHBANE-GSVOUGTGSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Difluoro-3-(methylamino)pentan-2-one
CID 59493768
5-(Ethylamino)-1,1,3,4-tetrafluoropentan-2-one
CID 89251848
1,1,3,4-Tetrafluoro-5-(methylamino)pentan-2-one
CID 89251928
(4R)-4-amino-1,1,1-trifluoropentan-2-one
CID 93511704
(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one
CID 121246459
4-Amino-5,5,5-trifluoropentan-2-one
CID 129269991
6,6,6-Trifluoro-3-(methylamino)hexan-2-one
CID 130440232
4-Amino-5,5-difluoropentan-2-one
CID 163448252
4-Amino-1,1,1,5,5,5-hexafluoropentan-2-one
CID 163555520
(4R)-4-amino-1,1,1,3,3-pentafluoropentan-2-one
CID 166720444
4-(Trifluoromethylamino)butan-2-one
CID 174976366
1-(2,2-Difluoroethylamino)pentan-3-one
CID 177980774

Frequently Asked Questions

What is the IUPAC name of (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one?
The IUPAC name of (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one (CID 166720397) is (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one.
What is the SMILES notation for (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one?
The canonical SMILES for (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one is CN[C@H](C)C(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one?
The InChIKey is ATCKRQCXZHBANE-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H8F5NO/c1-3(12-2)5(7,8)4(13)6(9,10)11/h3,12H,1-2H3/t3-/m1/s1.
What are the key properties of (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one?
(4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one has a molecular weight of 205.13 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1,1,3,3-pentafluoro-4-(methylamino)pentan-2-one is sourced from PubChem (CID 166720397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).