4-(3,3-difluoropropoxymethyl)azepane

C10H19F2NO — CID 84675203

IUPAC4-(3,3-difluoropropoxymethyl)azepane
SMILESFC(F)CCOCC1CCCNCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)4-7-14-8-9-2-1-5-13-6-3-9/h9-10,13H,1-8H2
InChIKeyKOBFUMNROVWDSR-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.05
Rot. Bonds5

About 4-(3,3-difluoropropoxymethyl)azepane

4-(3,3-difluoropropoxymethyl)azepane (PubChem CID 84675203) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(3,3-difluoropropoxymethyl)azepane.

Molecular Properties

Compound Name4-(3,3-difluoropropoxymethyl)azepane
PubChem CID84675203
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(3,3-difluoropropoxymethyl)azepane
SMILESFC(F)CCOCC1CCCNCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)4-7-14-8-9-2-1-5-13-6-3-9/h9-10,13H,1-8H2
InChIKeyKOBFUMNROVWDSR-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-difluoroethoxymethyl)piperidine
CID 62340537
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
bis(azepan-4-ylmethoxy)-oxophosphanium
CID 175450860
4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
CID 62340553
piperidin-4-ylmethoxymethylalumane
CID 146804034
3-methylbutoxymethylcyclobutane
CID 66602657
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
N-(azepan-4-ylmethyl)-2,2-difluoro-N-methylethanamine
CID 84674392
4-(2,2-difluorobutyl)azepane
CID 105445203

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropoxymethyl)azepane?
The IUPAC name of 4-(3,3-difluoropropoxymethyl)azepane (CID 84675203) is 4-(3,3-difluoropropoxymethyl)azepane.
What is the SMILES notation for 4-(3,3-difluoropropoxymethyl)azepane?
The canonical SMILES for 4-(3,3-difluoropropoxymethyl)azepane is FC(F)CCOCC1CCCNCC1.
What is the InChIKey of 4-(3,3-difluoropropoxymethyl)azepane?
The InChIKey is KOBFUMNROVWDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)4-7-14-8-9-2-1-5-13-6-3-9/h9-10,13H,1-8H2.
What are the key properties of 4-(3,3-difluoropropoxymethyl)azepane?
4-(3,3-difluoropropoxymethyl)azepane has a molecular weight of 207.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropoxymethyl)azepane is sourced from PubChem (CID 84675203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).