1-(fluoromethyl)cycloheptane-1-carboxylic acid

C9H15FO2 — CID 84766672

IUPAC1-(fluoromethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CF)CCCCCC1
InChIInChI=1S/C9H15FO2/c10-7-9(8(11)12)5-3-1-2-4-6-9/h1-7H2,(H,11,12)
InChIKeyZFMBRNHECWXCAC-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.38
Rot. Bonds2

About 1-(fluoromethyl)cycloheptane-1-carboxylic acid

1-(fluoromethyl)cycloheptane-1-carboxylic acid (PubChem CID 84766672) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1-(fluoromethyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethyl)cycloheptane-1-carboxylic acid
PubChem CID84766672
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name1-(fluoromethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CF)CCCCCC1
InChIInChI=1S/C9H15FO2/c10-7-9(8(11)12)5-3-1-2-4-6-9/h1-7H2,(H,11,12)
InChIKeyZFMBRNHECWXCAC-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
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1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
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1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-propylcyclooctane-1-carboxylic acid
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1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
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1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(fluoromethyl)cycloheptane-1-carboxylic acid (CID 84766672) is 1-(fluoromethyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(fluoromethyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(fluoromethyl)cycloheptane-1-carboxylic acid is O=C(O)C1(CF)CCCCCC1.
What is the InChIKey of 1-(fluoromethyl)cycloheptane-1-carboxylic acid?
The InChIKey is ZFMBRNHECWXCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c10-7-9(8(11)12)5-3-1-2-4-6-9/h1-7H2,(H,11,12).
What are the key properties of 1-(fluoromethyl)cycloheptane-1-carboxylic acid?
1-(fluoromethyl)cycloheptane-1-carboxylic acid has a molecular weight of 174.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 84766672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).