ethane;5-fluoro-1-methylazepan-4-ol

C9H20FNO — CID 166157376

IUPACethane;5-fluoro-1-methylazepan-4-ol
SMILESCC.CN1CCC(O)C(F)CC1
InChIInChI=1S/C7H14FNO.C2H6/c1-9-4-2-6(8)7(10)3-5-9;1-2/h6-7,10H,2-5H2,1H3;1-2H3
InChIKeyVAHROPTWFPRRRQ-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.44
Rot. Bonds

About ethane;5-fluoro-1-methylazepan-4-ol

ethane;5-fluoro-1-methylazepan-4-ol (PubChem CID 166157376) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is ethane;5-fluoro-1-methylazepan-4-ol.

Molecular Properties

Compound Nameethane;5-fluoro-1-methylazepan-4-ol
PubChem CID166157376
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Nameethane;5-fluoro-1-methylazepan-4-ol
SMILESCC.CN1CCC(O)C(F)CC1
InChIInChI=1S/C7H14FNO.C2H6/c1-9-4-2-6(8)7(10)3-5-9;1-2/h6-7,10H,2-5H2,1H3;1-2H3
InChIKeyVAHROPTWFPRRRQ-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-5-amino-1-methylazepan-4-ol
CID 176703641
ethane;1-methylpiperidin-4-amine
CID 123622295
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
ethane;4-fluoro-1-methylpiperidin-3-ol;2-(1-methylpiperidin-2-yl)ethanol
CID 166141777
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
ethane;4-hydroxy-1-methylpiperidine-3-carbonitrile
CID 177033557
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1-methylazepan-4-ol?
The IUPAC name of ethane;5-fluoro-1-methylazepan-4-ol (CID 166157376) is ethane;5-fluoro-1-methylazepan-4-ol.
What is the SMILES notation for ethane;5-fluoro-1-methylazepan-4-ol?
The canonical SMILES for ethane;5-fluoro-1-methylazepan-4-ol is CC.CN1CCC(O)C(F)CC1.
What is the InChIKey of ethane;5-fluoro-1-methylazepan-4-ol?
The InChIKey is VAHROPTWFPRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO.C2H6/c1-9-4-2-6(8)7(10)3-5-9;1-2/h6-7,10H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;5-fluoro-1-methylazepan-4-ol?
ethane;5-fluoro-1-methylazepan-4-ol has a molecular weight of 177.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1-methylazepan-4-ol is sourced from PubChem (CID 166157376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).