1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone

C14H25FO — CID 123692304

IUPAC1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CCCC(C)(C)CCCF)CC1
InChIInChI=1S/C14H25FO/c1-12(16)14(9-10-14)8-4-6-13(2,3)7-5-11-15/h4-11H2,1-3H3
InChIKeyMLUQNENSTRJZLG-UHFFFAOYSA-N
MW228.35 g/mol
LogP4.30
Rot. Bonds8

About 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone

1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone (PubChem CID 123692304) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone
PubChem CID123692304
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CCCC(C)(C)CCCF)CC1
InChIInChI=1S/C14H25FO/c1-12(16)14(9-10-14)8-4-6-13(2,3)7-5-11-15/h4-11H2,1-3H3
InChIKeyMLUQNENSTRJZLG-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone
CID 106797132
1-(1-octylcyclopropyl)ethanone
CID 22042371
8-[2-[5-(1-acetylcyclopropyl)pentyl]phenyl]-3,3-dimethyloctan-2-one
CID 164594994
1-[1-(2,2-difluoroethyl)cyclopropyl]ethanone
CID 106796985
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314
1-[4-[4-[6-(1-acetylcyclopropyl)hexyl]phenyl]butyl]cyclopropane-1-carboxylic acid
CID 164595037
1-[1-(2-propoxyethyl)cyclopropyl]ethanone
CID 106797086
4-(1-acetylcyclopentyl)butan-2-one
CID 123974619
4-(4,4-dimethylpentyl)oxane-4-carboxylic acid
CID 58052435
1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
CID 150208157
1-(2-fluoroethyl)-N-methylcyclopropane-1-carboxamide
CID 126985970
1-[6-[2-[6-(1-acetylcyclopropyl)hexyl]phenyl]hexyl]cyclopropane-1-carboxylic acid
CID 164595174

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone (CID 123692304) is 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone is CC(=O)C1(CCCC(C)(C)CCCF)CC1.
What is the InChIKey of 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone?
The InChIKey is MLUQNENSTRJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO/c1-12(16)14(9-10-14)8-4-6-13(2,3)7-5-11-15/h4-11H2,1-3H3.
What are the key properties of 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone?
1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone has a molecular weight of 228.35 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-fluoro-4,4-dimethylheptyl)cyclopropyl]ethanone is sourced from PubChem (CID 123692304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).