2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one

C9H14F3NO — CID 116558617

IUPAC2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one
SMILESCC(N)(C(=O)CCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO/c1-8(13,6-2-3-6)7(14)4-5-9(10,11)12/h6H,2-5,13H2,1H3
InChIKeyDSUVOPOUSWEAQA-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one

2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one (PubChem CID 116558617) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one
PubChem CID116558617
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one
SMILESCC(N)(C(=O)CCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO/c1-8(13,6-2-3-6)7(14)4-5-9(10,11)12/h6H,2-5,13H2,1H3
InChIKeyDSUVOPOUSWEAQA-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
CID 57740232
1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
CID 89174595
1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone
CID 118457480
1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone
CID 167195753
2-Amino-1,1,1-trifluoro-2,4-dimethylheptan-3-one
CID 107890226
6-Amino-1,1,1-trifluoro-6-methylnonan-5-one
CID 116557100
5-Amino-1,1,1-trifluoro-5-methyloctan-4-one
CID 116557158
2-Amino-2-cyclopropyl-7,7,7-trifluoroheptan-3-one
CID 116558560
2-Amino-7,7,7-trifluoro-2-methylheptan-3-one
CID 116560217
1-(1-Aminocyclopropyl)-5,5,5-trifluoropentan-1-one
CID 116576659
3-Amino-8,8,8-trifluoro-3-methyloctan-4-one
CID 116590416
5-Amino-1,1,1-trifluoro-5-methylheptan-4-one
CID 116590479

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one?
The IUPAC name of 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one (CID 116558617) is 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one?
The canonical SMILES for 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one is CC(N)(C(=O)CCC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one?
The InChIKey is DSUVOPOUSWEAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-8(13,6-2-3-6)7(14)4-5-9(10,11)12/h6H,2-5,13H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one?
2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one has a molecular weight of 209.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-6,6,6-trifluorohexan-3-one is sourced from PubChem (CID 116558617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).