6-fluoro-1-propan-2-ylazepan-3-ol

C9H18FNO — CID 139302568

IUPAC6-fluoro-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CC(O)CCC(F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)11-5-8(10)3-4-9(12)6-11/h7-9,12H,3-6H2,1-2H3
InChIKeyCVJPSSZOZGEKAC-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds1

About 6-fluoro-1-propan-2-ylazepan-3-ol

6-fluoro-1-propan-2-ylazepan-3-ol (PubChem CID 139302568) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-ylazepan-3-ol.

Molecular Properties

Compound Name6-fluoro-1-propan-2-ylazepan-3-ol
PubChem CID139302568
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name6-fluoro-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CC(O)CCC(F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)11-5-8(10)3-4-9(12)6-11/h7-9,12H,3-6H2,1-2H3
InChIKeyCVJPSSZOZGEKAC-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 6-fluoro-1-propan-2-ylazepan-3-ol?
The IUPAC name of 6-fluoro-1-propan-2-ylazepan-3-ol (CID 139302568) is 6-fluoro-1-propan-2-ylazepan-3-ol.
What is the SMILES notation for 6-fluoro-1-propan-2-ylazepan-3-ol?
The canonical SMILES for 6-fluoro-1-propan-2-ylazepan-3-ol is CC(C)N1CC(O)CCC(F)C1.
What is the InChIKey of 6-fluoro-1-propan-2-ylazepan-3-ol?
The InChIKey is CVJPSSZOZGEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)11-5-8(10)3-4-9(12)6-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-1-propan-2-ylazepan-3-ol?
6-fluoro-1-propan-2-ylazepan-3-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propan-2-ylazepan-3-ol is sourced from PubChem (CID 139302568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).