4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol

C14H20FNO — CID 65074968

IUPAC4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNO/c1-16-8-3-6-14(17,7-9-16)11-12-4-2-5-13(15)10-12/h2,4-5,10,17H,3,6-9,11H2,1H3
InChIKeyFEFKRFHGQGXEHN-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.21
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol

4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol (PubChem CID 65074968) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol
PubChem CID65074968
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNO/c1-16-8-3-6-14(17,7-9-16)11-12-4-2-5-13(15)10-12/h2,4-5,10,17H,3,6-9,11H2,1H3
InChIKeyFEFKRFHGQGXEHN-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol (CID 65074968) is 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol is CN1CCCC(O)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol?
The InChIKey is FEFKRFHGQGXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16-8-3-6-14(17,7-9-16)11-12-4-2-5-13(15)10-12/h2,4-5,10,17H,3,6-9,11H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol?
4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol has a molecular weight of 237.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-1-methylazepan-4-ol is sourced from PubChem (CID 65074968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).