1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol

C12H24FNO — CID 114338731

IUPAC1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CCCF
InChIInChI=1S/C12H24FNO/c1-11(15)10-12-6-3-2-4-8-14(12)9-5-7-13/h11-12,15H,2-10H2,1H3
InChIKeyIYLRWSBYLJHSAW-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.36
Rot. Bonds5

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

1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol (PubChem CID 114338731) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol
PubChem CID114338731
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CCCF
InChIInChI=1S/C12H24FNO/c1-11(15)10-12-6-3-2-4-8-14(12)9-5-7-13/h11-12,15H,2-10H2,1H3
InChIKeyIYLRWSBYLJHSAW-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol (CID 114338731) is 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol is CC(O)CC1CCCCCN1CCCF.
What is the InChIKey of 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol?
The InChIKey is IYLRWSBYLJHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(15)10-12-6-3-2-4-8-14(12)9-5-7-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol?
1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol has a molecular weight of 217.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropyl)azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).