2-(1-fluoro-2-methylpropyl)azepane

C10H20FN — CID 105435678

IUPAC2-(1-fluoro-2-methylpropyl)azepane
SMILESCC(C)C(F)C1CCCCCN1
InChIInChI=1S/C10H20FN/c1-8(2)10(11)9-6-4-3-5-7-12-9/h8-10,12H,3-7H2,1-2H3
InChIKeyNLMMVFYIIOKIIB-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.51
Rot. Bonds2

About 2-(1-fluoro-2-methylpropyl)azepane

2-(1-fluoro-2-methylpropyl)azepane (PubChem CID 105435678) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 2-(1-fluoro-2-methylpropyl)azepane.

Molecular Properties

Compound Name2-(1-fluoro-2-methylpropyl)azepane
PubChem CID105435678
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name2-(1-fluoro-2-methylpropyl)azepane
SMILESCC(C)C(F)C1CCCCCN1
InChIInChI=1S/C10H20FN/c1-8(2)10(11)9-6-4-3-5-7-12-9/h8-10,12H,3-7H2,1-2H3
InChIKeyNLMMVFYIIOKIIB-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-propan-2-ylazepane
CID 7048221
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-(1-fluoro-4-methylpentyl)piperidine
CID 106634845
2-(1-fluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058443
2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine
CID 107443610
ethane;2-propan-2-ylpiperidine
CID 154671868
2-[cyclopropyl(fluoro)methyl]azepane
CID 105434879
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680
(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
(2R)-2-butan-2-ylpiperidine
CID 145087457
2-(1-fluorobutyl)piperidine
CID 105431346

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-methylpropyl)azepane?
The IUPAC name of 2-(1-fluoro-2-methylpropyl)azepane (CID 105435678) is 2-(1-fluoro-2-methylpropyl)azepane.
What is the SMILES notation for 2-(1-fluoro-2-methylpropyl)azepane?
The canonical SMILES for 2-(1-fluoro-2-methylpropyl)azepane is CC(C)C(F)C1CCCCCN1.
What is the InChIKey of 2-(1-fluoro-2-methylpropyl)azepane?
The InChIKey is NLMMVFYIIOKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(2)10(11)9-6-4-3-5-7-12-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(1-fluoro-2-methylpropyl)azepane?
2-(1-fluoro-2-methylpropyl)azepane has a molecular weight of 173.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-methylpropyl)azepane is sourced from PubChem (CID 105435678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).