3-(fluoromethyl)-1-methylazepan-3-ol

C8H16FNO — CID 144890556

IUPAC3-(fluoromethyl)-1-methylazepan-3-ol
SMILESCN1CCCCC(O)(CF)C1
InChIInChI=1S/C8H16FNO/c1-10-5-3-2-4-8(11,6-9)7-10/h11H,2-7H2,1H3
InChIKeyYDECBAOEDILHNN-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds1

About 3-(fluoromethyl)-1-methylazepan-3-ol

3-(fluoromethyl)-1-methylazepan-3-ol (PubChem CID 144890556) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methylazepan-3-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methylazepan-3-ol
PubChem CID144890556
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-(fluoromethyl)-1-methylazepan-3-ol
SMILESCN1CCCCC(O)(CF)C1
InChIInChI=1S/C8H16FNO/c1-10-5-3-2-4-8(11,6-9)7-10/h11H,2-7H2,1H3
InChIKeyYDECBAOEDILHNN-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methylazepan-3-ol?
The IUPAC name of 3-(fluoromethyl)-1-methylazepan-3-ol (CID 144890556) is 3-(fluoromethyl)-1-methylazepan-3-ol.
What is the SMILES notation for 3-(fluoromethyl)-1-methylazepan-3-ol?
The canonical SMILES for 3-(fluoromethyl)-1-methylazepan-3-ol is CN1CCCCC(O)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-methylazepan-3-ol?
The InChIKey is YDECBAOEDILHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-10-5-3-2-4-8(11,6-9)7-10/h11H,2-7H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-methylazepan-3-ol?
3-(fluoromethyl)-1-methylazepan-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methylazepan-3-ol is sourced from PubChem (CID 144890556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).