1-cyclopropyl-4-fluoroazepane-4-carboxylic acid

C10H16FNO2 — CID 115022243

IUPAC1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
SMILESO=C(O)C1(F)CCCN(C2CC2)CC1
InChIInChI=1S/C10H16FNO2/c11-10(9(13)14)4-1-6-12(7-5-10)8-2-3-8/h8H,1-7H2,(H,13,14)
InChIKeyGPHMLDWDIISPPC-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.43
Rot. Bonds2

About 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid

1-cyclopropyl-4-fluoroazepane-4-carboxylic acid (PubChem CID 115022243) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
PubChem CID115022243
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
SMILESO=C(O)C1(F)CCCN(C2CC2)CC1
InChIInChI=1S/C10H16FNO2/c11-10(9(13)14)4-1-6-12(7-5-10)8-2-3-8/h8H,1-7H2,(H,13,14)
InChIKeyGPHMLDWDIISPPC-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(oxan-4-yl)azepane-4-carboxylic acid
CID 115055710
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
CID 115022244
4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid
CID 115055711
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 115039380
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
2-(4-amino-1-cyclopropylazepan-4-yl)acetamide
CID 83848884
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
1,4-difluorocyclohexane-1-carboxylic acid
CID 141145734
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid (CID 115022243) is 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid is O=C(O)C1(F)CCCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid?
The InChIKey is GPHMLDWDIISPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-10(9(13)14)4-1-6-12(7-5-10)8-2-3-8/h8H,1-7H2,(H,13,14).
What are the key properties of 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid?
1-cyclopropyl-4-fluoroazepane-4-carboxylic acid has a molecular weight of 201.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluoroazepane-4-carboxylic acid is sourced from PubChem (CID 115022243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).