2-[cyclopropyl(fluoro)methyl]azepane

C10H18FN — CID 105434879

IUPAC2-[cyclopropyl(fluoro)methyl]azepane
SMILESFC(C1CC1)C1CCCCCN1
InChIInChI=1S/C10H18FN/c11-10(8-5-6-8)9-4-2-1-3-7-12-9/h8-10,12H,1-7H2
InChIKeyZKNHIZPCXGWXHT-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.27
Rot. Bonds2

About 2-[cyclopropyl(fluoro)methyl]azepane

2-[cyclopropyl(fluoro)methyl]azepane (PubChem CID 105434879) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-[cyclopropyl(fluoro)methyl]azepane.

Molecular Properties

Compound Name2-[cyclopropyl(fluoro)methyl]azepane
PubChem CID105434879
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-[cyclopropyl(fluoro)methyl]azepane
SMILESFC(C1CC1)C1CCCCCN1
InChIInChI=1S/C10H18FN/c11-10(8-5-6-8)9-4-2-1-3-7-12-9/h8-10,12H,1-7H2
InChIKeyZKNHIZPCXGWXHT-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine
CID 130510926
(2R)-2-propan-2-ylazepane
CID 7048221
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-(1-fluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058443
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680
2-(1-fluorobutyl)piperidine
CID 105431346
ethane;2-propan-2-ylpiperidine
CID 154671868
2-(1-fluoro-4-methylpentyl)piperidine
CID 106634845

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(fluoro)methyl]azepane?
The IUPAC name of 2-[cyclopropyl(fluoro)methyl]azepane (CID 105434879) is 2-[cyclopropyl(fluoro)methyl]azepane.
What is the SMILES notation for 2-[cyclopropyl(fluoro)methyl]azepane?
The canonical SMILES for 2-[cyclopropyl(fluoro)methyl]azepane is FC(C1CC1)C1CCCCCN1.
What is the InChIKey of 2-[cyclopropyl(fluoro)methyl]azepane?
The InChIKey is ZKNHIZPCXGWXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-10(8-5-6-8)9-4-2-1-3-7-12-9/h8-10,12H,1-7H2.
What are the key properties of 2-[cyclopropyl(fluoro)methyl]azepane?
2-[cyclopropyl(fluoro)methyl]azepane has a molecular weight of 171.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(fluoro)methyl]azepane is sourced from PubChem (CID 105434879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).