4-fluoro-4-(oxolan-3-yl)azepane

C10H18FNO — CID 103983808

IUPAC4-fluoro-4-(oxolan-3-yl)azepane
SMILESFC1(C2CCOC2)CCCNCC1
InChIInChI=1S/C10H18FNO/c11-10(9-2-7-13-8-9)3-1-5-12-6-4-10/h9,12H,1-8H2
InChIKeyIECODKFWNHIGSC-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.50
Rot. Bonds1

About 4-fluoro-4-(oxolan-3-yl)azepane

4-fluoro-4-(oxolan-3-yl)azepane (PubChem CID 103983808) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-fluoro-4-(oxolan-3-yl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(oxolan-3-yl)azepane
PubChem CID103983808
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-fluoro-4-(oxolan-3-yl)azepane
SMILESFC1(C2CCOC2)CCCNCC1
InChIInChI=1S/C10H18FNO/c11-10(9-2-7-13-8-9)3-1-5-12-6-4-10/h9,12H,1-8H2
InChIKeyIECODKFWNHIGSC-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)piperidine
CID 112563277
3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane
CID 112564611
4-(oxan-3-yl)piperidin-4-ol
CID 107135511
4-fluoro-4-(thian-4-yl)piperidine
CID 83819654
3-(oxan-4-yl)piperidin-3-ol
CID 63936867
3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine
CID 112564317
2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
CID 154808050
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956
2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane
CID 126845507
4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride
CID 163385711
3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
CID 145216920
(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine
CID 166800108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(oxolan-3-yl)azepane?
The IUPAC name of 4-fluoro-4-(oxolan-3-yl)azepane (CID 103983808) is 4-fluoro-4-(oxolan-3-yl)azepane.
What is the SMILES notation for 4-fluoro-4-(oxolan-3-yl)azepane?
The canonical SMILES for 4-fluoro-4-(oxolan-3-yl)azepane is FC1(C2CCOC2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(oxolan-3-yl)azepane?
The InChIKey is IECODKFWNHIGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-10(9-2-7-13-8-9)3-1-5-12-6-4-10/h9,12H,1-8H2.
What are the key properties of 4-fluoro-4-(oxolan-3-yl)azepane?
4-fluoro-4-(oxolan-3-yl)azepane has a molecular weight of 187.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(oxolan-3-yl)azepane is sourced from PubChem (CID 103983808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).