(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one

C10H20FNO — CID 163483566

IUPAC(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
SMILESCCC(=O)C(C)[C@@H](CF)[C@@H](C)CN
InChIInChI=1S/C10H20FNO/c1-4-10(13)8(3)9(5-11)7(2)6-12/h7-9H,4-6,12H2,1-3H3/t7-,8?,9-/m0/s1
InChIKeyCGPSRPRDSZADBJ-SMOXQLQSSA-N
MW189.27 g/mol
LogP1.78
Rot. Bonds6

About (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one

(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one (PubChem CID 163483566) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one.

Molecular Properties

Compound Name(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
PubChem CID163483566
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
SMILESCCC(=O)C(C)[C@@H](CF)[C@@H](C)CN
InChIInChI=1S/C10H20FNO/c1-4-10(13)8(3)9(5-11)7(2)6-12/h7-9H,4-6,12H2,1-3H3/t7-,8?,9-/m0/s1
InChIKeyCGPSRPRDSZADBJ-SMOXQLQSSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-methyl-3-[3-(methylamino)propyl]hexan-2-one
CID 58143621
3-(2-Aminoethyl)-3-fluorohexan-2-one
CID 91612917
4-Amino-6-fluoro-2,6-dimethylheptan-3-one
CID 117813256
(3R)-3-(aminomethyl)-5-fluoro-5-methylhexan-2-one
CID 117960445
7-Amino-4,4-difluoro-2-methylheptan-3-one
CID 138747779
4,7-Diamino-4-(difluoromethyl)-2-methylheptan-3-one
CID 153503767
(2-Acetyl-4-fluoro-4-methylpentyl)azanium
CID 159752519
6-Amino-3-fluoro-4-methylheptan-2-one
CID 167028799
8-(2-Aminoethyl)-1,1,1-trifluoro-9,9-dimethyldecan-5-one
CID 113539082
7-(2-Aminoethyl)-1,1,1-trifluoro-8,8-dimethylnonan-4-one
CID 113539090
1-Amino-7,7,7-trifluoro-2-methylheptan-3-one
CID 116564571
3-(Aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one
CID 116573999

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one?
The IUPAC name of (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one (CID 163483566) is (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one.
What is the SMILES notation for (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one?
The canonical SMILES for (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one is CCC(=O)C(C)[C@@H](CF)[C@@H](C)CN.
What is the InChIKey of (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one?
The InChIKey is CGPSRPRDSZADBJ-SMOXQLQSSA-N. The full InChI is InChI=1S/C10H20FNO/c1-4-10(13)8(3)9(5-11)7(2)6-12/h7-9H,4-6,12H2,1-3H3/t7-,8?,9-/m0/s1.
What are the key properties of (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one?
(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one has a molecular weight of 189.27 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one is sourced from PubChem (CID 163483566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).