ethane;3-fluoro-3-methylpentane;pentan-2-one

C13H29FO — CID 142363622

IUPACethane;3-fluoro-3-methylpentane;pentan-2-one
SMILESCC.CCC(C)(F)CC.CCCC(C)=O
InChIInChI=1S/C6H13F.C5H10O.C2H6/c1-4-6(3,7)5-2;1-3-4-5(2)6;1-2/h4-5H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyKXNIYGYWBDZQJE-UHFFFAOYSA-N
MW220.37 g/mol
LogP4.94
Rot. Bonds4

About ethane;3-fluoro-3-methylpentane;pentan-2-one

ethane;3-fluoro-3-methylpentane;pentan-2-one (PubChem CID 142363622) has the molecular formula C13H29FO and a molecular weight of 220.37 g/mol. Its IUPAC name is ethane;3-fluoro-3-methylpentane;pentan-2-one.

Molecular Properties

Compound Nameethane;3-fluoro-3-methylpentane;pentan-2-one
PubChem CID142363622
Molecular FormulaC13H29FO
Molecular Weight220.37 g/mol
Exact Mass220.22
IUPAC Nameethane;3-fluoro-3-methylpentane;pentan-2-one
SMILESCC.CCC(C)(F)CC.CCCC(C)=O
InChIInChI=1S/C6H13F.C5H10O.C2H6/c1-4-6(3,7)5-2;1-3-4-5(2)6;1-2/h4-5H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyKXNIYGYWBDZQJE-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158726547
CID 158726547
palladium;pentan-2-one
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pentan-2-one;zinc
CID 88629307
CID 171375174
CID 171375174
butane-2,3-dione;pentan-2-one
CID 160941626
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
4-fluoro-4-methylhexan-2-one
CID 126626777
pentan-2-one;propanoic acid
CID 162011313
bromoethane;hexadecane;pentan-2-one
CID 19601871
oxetane;pentan-2-one
CID 159710624
2-methylprop-2-enoic acid;pentan-2-one
CID 159816457

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-methylpentane;pentan-2-one?
The IUPAC name of ethane;3-fluoro-3-methylpentane;pentan-2-one (CID 142363622) is ethane;3-fluoro-3-methylpentane;pentan-2-one.
What is the SMILES notation for ethane;3-fluoro-3-methylpentane;pentan-2-one?
The canonical SMILES for ethane;3-fluoro-3-methylpentane;pentan-2-one is CC.CCC(C)(F)CC.CCCC(C)=O.
What is the InChIKey of ethane;3-fluoro-3-methylpentane;pentan-2-one?
The InChIKey is KXNIYGYWBDZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F.C5H10O.C2H6/c1-4-6(3,7)5-2;1-3-4-5(2)6;1-2/h4-5H2,1-3H3;3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-3-methylpentane;pentan-2-one?
ethane;3-fluoro-3-methylpentane;pentan-2-one has a molecular weight of 220.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-methylpentane;pentan-2-one is sourced from PubChem (CID 142363622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).