2-fluoro-1-(methylamino)hexan-3-one

C7H14FNO — CID 145157769

IUPAC2-fluoro-1-(methylamino)hexan-3-one
SMILESCCCC(=O)C(F)CNC
InChIInChI=1S/C7H14FNO/c1-3-4-7(10)6(8)5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyHZGQDVCYMQJPGT-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.91
Rot. Bonds5

About 2-fluoro-1-(methylamino)hexan-3-one

2-fluoro-1-(methylamino)hexan-3-one (PubChem CID 145157769) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-fluoro-1-(methylamino)hexan-3-one.

Molecular Properties

Compound Name2-fluoro-1-(methylamino)hexan-3-one
PubChem CID145157769
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-fluoro-1-(methylamino)hexan-3-one
SMILESCCCC(=O)C(F)CNC
InChIInChI=1S/C7H14FNO/c1-3-4-7(10)6(8)5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyHZGQDVCYMQJPGT-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pentanone, 5-(ethylamino)-
CID 100963
6-Methylamino-2-hexanone
CID 13679983
3-Fluoroazepan-4-one
CID 71379832
1,1,3,4-Tetrafluoro-5-(methylamino)pentan-2-one
CID 89251928
5-(Ethylamino)-1,3,4-trifluoropentan-2-one
CID 89251941
1,3,4-Trifluoro-5-(methylamino)pentan-2-one
CID 89251970
4H-Azepin-4-one, 5-fluorohexahydro-
CID 118798538
4-(Trifluoromethylamino)butan-2-one
CID 174976366
1-(2,2-Difluoroethylamino)pentan-3-one
CID 177980774
Molecular hydrogen;1-(2,2,2-trifluoroethylamino)pentan-3-one
CID 177980900
1-(2,2,2-Trifluoroethylamino)pentan-3-one
CID 177980901
5-(Methylamino)pentan-2-one
CID 20668328

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(methylamino)hexan-3-one?
The IUPAC name of 2-fluoro-1-(methylamino)hexan-3-one (CID 145157769) is 2-fluoro-1-(methylamino)hexan-3-one.
What is the SMILES notation for 2-fluoro-1-(methylamino)hexan-3-one?
The canonical SMILES for 2-fluoro-1-(methylamino)hexan-3-one is CCCC(=O)C(F)CNC.
What is the InChIKey of 2-fluoro-1-(methylamino)hexan-3-one?
The InChIKey is HZGQDVCYMQJPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-3-4-7(10)6(8)5-9-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-1-(methylamino)hexan-3-one?
2-fluoro-1-(methylamino)hexan-3-one has a molecular weight of 147.19 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(methylamino)hexan-3-one is sourced from PubChem (CID 145157769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).