4-(2-fluoroethyl)-2-methylheptan-3-one

C10H19FO — CID 166106889

IUPAC4-(2-fluoroethyl)-2-methylheptan-3-one
SMILESCCCC(CCF)C(=O)C(C)C
InChIInChI=1S/C10H19FO/c1-4-5-9(6-7-11)10(12)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyWDKJJMWUPZXYJR-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.99
Rot. Bonds6

About 4-(2-fluoroethyl)-2-methylheptan-3-one

4-(2-fluoroethyl)-2-methylheptan-3-one (PubChem CID 166106889) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2-methylheptan-3-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2-methylheptan-3-one
PubChem CID166106889
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name4-(2-fluoroethyl)-2-methylheptan-3-one
SMILESCCCC(CCF)C(=O)C(C)C
InChIInChI=1S/C10H19FO/c1-4-5-9(6-7-11)10(12)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyWDKJJMWUPZXYJR-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-2-methyloctan-3-one
CID 171426152
(4R)-2,4-dimethylheptan-3-one
CID 6999069
4-[(2,3-dimethylpentylamino)methyl]-2-methylheptan-3-one
CID 170222759
4-butyl-2-methyldecan-3-one
CID 130218662
3-ethyl-5-fluoropentan-2-one
CID 80696730
2-propylpentanoyl 2-propylpentanoate
CID 10923624
(6S)-4,6-dimethylnonan-5-one
CID 177467625
3-oxo-2-propan-2-yl-4-propylheptanenitrile
CID 82984267
(4S)-2-methyl-4-methylsulfanylheptan-3-one
CID 142011947
methyl 2-(aminomethyl)pentanoate
CID 65220226
4,6-bis(chloromethyl)nonan-5-one
CID 174329694
(2-aminoacetyl) 2-propylpentanoate
CID 87611330

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2-methylheptan-3-one?
The IUPAC name of 4-(2-fluoroethyl)-2-methylheptan-3-one (CID 166106889) is 4-(2-fluoroethyl)-2-methylheptan-3-one.
What is the SMILES notation for 4-(2-fluoroethyl)-2-methylheptan-3-one?
The canonical SMILES for 4-(2-fluoroethyl)-2-methylheptan-3-one is CCCC(CCF)C(=O)C(C)C.
What is the InChIKey of 4-(2-fluoroethyl)-2-methylheptan-3-one?
The InChIKey is WDKJJMWUPZXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-4-5-9(6-7-11)10(12)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(2-fluoroethyl)-2-methylheptan-3-one?
4-(2-fluoroethyl)-2-methylheptan-3-one has a molecular weight of 174.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2-methylheptan-3-one is sourced from PubChem (CID 166106889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).