1-(2-fluoroethyl)-4-methylazepan-4-ol

C9H18FNO — CID 107408296

IUPAC1-(2-fluoroethyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCF)CC1
InChIInChI=1S/C9H18FNO/c1-9(12)3-2-6-11(7-4-9)8-5-10/h12H,2-8H2,1H3
InChIKeyAQQVDMRLDLQHBR-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methylazepan-4-ol

1-(2-fluoroethyl)-4-methylazepan-4-ol (PubChem CID 107408296) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylazepan-4-ol
PubChem CID107408296
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(2-fluoroethyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCF)CC1
InChIInChI=1S/C9H18FNO/c1-9(12)3-2-6-11(7-4-9)8-5-10/h12H,2-8H2,1H3
InChIKeyAQQVDMRLDLQHBR-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(2-fluoroethyl)-4-methylazepan-4-ol (CID 107408296) is 1-(2-fluoroethyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylazepan-4-ol is CC1(O)CCCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylazepan-4-ol?
The InChIKey is AQQVDMRLDLQHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(12)3-2-6-11(7-4-9)8-5-10/h12H,2-8H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylazepan-4-ol?
1-(2-fluoroethyl)-4-methylazepan-4-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107408296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).