[1-(3-fluoropropyl)azepan-2-yl]methanol

C10H20FNO — CID 116637641

IUPAC[1-(3-fluoropropyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCCF
InChIInChI=1S/C10H20FNO/c11-6-4-8-12-7-3-1-2-5-10(12)9-13/h10,13H,1-9H2
InChIKeyZOSSCEBUIHLRCQ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds4

About [1-(3-fluoropropyl)azepan-2-yl]methanol

[1-(3-fluoropropyl)azepan-2-yl]methanol (PubChem CID 116637641) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [1-(3-fluoropropyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoropropyl)azepan-2-yl]methanol
PubChem CID116637641
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[1-(3-fluoropropyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCCF
InChIInChI=1S/C10H20FNO/c11-6-4-8-12-7-3-1-2-5-10(12)9-13/h10,13H,1-9H2
InChIKeyZOSSCEBUIHLRCQ-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)azepan-2-yl]methanol?
The IUPAC name of [1-(3-fluoropropyl)azepan-2-yl]methanol (CID 116637641) is [1-(3-fluoropropyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(3-fluoropropyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(3-fluoropropyl)azepan-2-yl]methanol is OCC1CCCCCN1CCCF.
What is the InChIKey of [1-(3-fluoropropyl)azepan-2-yl]methanol?
The InChIKey is ZOSSCEBUIHLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-6-4-8-12-7-3-1-2-5-10(12)9-13/h10,13H,1-9H2.
What are the key properties of [1-(3-fluoropropyl)azepan-2-yl]methanol?
[1-(3-fluoropropyl)azepan-2-yl]methanol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)azepan-2-yl]methanol is sourced from PubChem (CID 116637641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).