7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one

C11H21F2NO — CID 20766372

IUPAC7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NC(CC(=O)C(C)C)CC(F)F
InChIInChI=1S/C11H21F2NO/c1-7(2)10(15)5-9(6-11(12)13)14-8(3)4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyRPOJXXWPQMWDEC-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.62
Rot. Bonds7

About 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one

7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one (PubChem CID 20766372) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one
PubChem CID20766372
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NC(CC(=O)C(C)C)CC(F)F
InChIInChI=1S/C11H21F2NO/c1-7(2)10(15)5-9(6-11(12)13)14-8(3)4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyRPOJXXWPQMWDEC-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4,4-difluoro-2-methyltridecan-5-one
CID 11615909
1,4-Diamino-2,2-difluoro-6-methylheptan-3-one
CID 53683365
1-(4,4-Difluoropyrrolidin-2-yl)-2-methylpropan-1-one
CID 59581067
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668915
N-[2-methyl-5-oxo-4-(trifluoromethyl)heptan-3-yl]acetamide
CID 88358929
2-Methyl-6-[2-(trifluoromethyl)but-2-enylamino]heptan-4-one
CID 123507856
7,7,7-Trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one
CID 130433887
7,7,7-Trifluoro-2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 130433914
6,6,6-Trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 130440229
(4S)-6,6,6-trifluoro-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 132027430
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-ethylbutan-1-one
CID 132108935
1-[5-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 140418735

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one?
The IUPAC name of 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one (CID 20766372) is 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one.
What is the SMILES notation for 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one?
The canonical SMILES for 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one is CC(C)NC(CC(=O)C(C)C)CC(F)F.
What is the InChIKey of 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one?
The InChIKey is RPOJXXWPQMWDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-7(2)10(15)5-9(6-11(12)13)14-8(3)4/h7-9,11,14H,5-6H2,1-4H3.
What are the key properties of 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one?
7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one has a molecular weight of 221.29 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one is sourced from PubChem (CID 20766372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).