1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol

C11H22FNO — CID 114338933

IUPAC1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CCF
InChIInChI=1S/C11H22FNO/c1-10(14)9-11-5-3-2-4-7-13(11)8-6-12/h10-11,14H,2-9H2,1H3
InChIKeyWTMFHZWDRRZWRW-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.97
Rot. Bonds4

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

1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol (PubChem CID 114338933) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol
PubChem CID114338933
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CCF
InChIInChI=1S/C11H22FNO/c1-10(14)9-11-5-3-2-4-7-13(11)8-6-12/h10-11,14H,2-9H2,1H3
InChIKeyWTMFHZWDRRZWRW-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol (CID 114338933) is 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol is CC(O)CC1CCCCCN1CCF.
What is the InChIKey of 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol?
The InChIKey is WTMFHZWDRRZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(14)9-11-5-3-2-4-7-13(11)8-6-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol?
1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol has a molecular weight of 203.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).