4-fluoro-1-methylazepan-3-ol

C7H14FNO — CID 118230227

IUPAC4-fluoro-1-methylazepan-3-ol
SMILESCN1CCCC(F)C(O)C1
InChIInChI=1S/C7H14FNO/c1-9-4-2-3-6(8)7(10)5-9/h6-7,10H,2-5H2,1H3
InChIKeyHEEPNJVNNSEJCF-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds

About 4-fluoro-1-methylazepan-3-ol

4-fluoro-1-methylazepan-3-ol (PubChem CID 118230227) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-fluoro-1-methylazepan-3-ol.

Molecular Properties

Compound Name4-fluoro-1-methylazepan-3-ol
PubChem CID118230227
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-fluoro-1-methylazepan-3-ol
SMILESCN1CCCC(F)C(O)C1
InChIInChI=1S/C7H14FNO/c1-9-4-2-3-6(8)7(10)5-9/h6-7,10H,2-5H2,1H3
InChIKeyHEEPNJVNNSEJCF-UHFFFAOYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylazepan-3-ol?
The IUPAC name of 4-fluoro-1-methylazepan-3-ol (CID 118230227) is 4-fluoro-1-methylazepan-3-ol.
What is the SMILES notation for 4-fluoro-1-methylazepan-3-ol?
The canonical SMILES for 4-fluoro-1-methylazepan-3-ol is CN1CCCC(F)C(O)C1.
What is the InChIKey of 4-fluoro-1-methylazepan-3-ol?
The InChIKey is HEEPNJVNNSEJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-2-3-6(8)7(10)5-9/h6-7,10H,2-5H2,1H3.
What are the key properties of 4-fluoro-1-methylazepan-3-ol?
4-fluoro-1-methylazepan-3-ol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylazepan-3-ol is sourced from PubChem (CID 118230227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).