4-fluoroazepan-3-ol

C6H12FNO — CID 91804345

IUPAC4-fluoroazepan-3-ol
SMILESOC1CNCCCC1F
InChIInChI=1S/C6H12FNO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2
InChIKeyITQAIPLTHRXFQD-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds

About 4-fluoroazepan-3-ol

4-fluoroazepan-3-ol (PubChem CID 91804345) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-fluoroazepan-3-ol.

Molecular Properties

Compound Name4-fluoroazepan-3-ol
PubChem CID91804345
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-fluoroazepan-3-ol
SMILESOC1CNCCCC1F
InChIInChI=1S/C6H12FNO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2
InChIKeyITQAIPLTHRXFQD-UHFFFAOYSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoroazepan-3-ol?
The IUPAC name of 4-fluoroazepan-3-ol (CID 91804345) is 4-fluoroazepan-3-ol.
What is the SMILES notation for 4-fluoroazepan-3-ol?
The canonical SMILES for 4-fluoroazepan-3-ol is OC1CNCCCC1F.
What is the InChIKey of 4-fluoroazepan-3-ol?
The InChIKey is ITQAIPLTHRXFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2.
What are the key properties of 4-fluoroazepan-3-ol?
4-fluoroazepan-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroazepan-3-ol is sourced from PubChem (CID 91804345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).