1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol

C10H20FNO — CID 130947603

IUPAC1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)CF)CC1
InChIInChI=1S/C10H20FNO/c1-9-3-2-5-12(6-4-9)8-10(13)7-11/h9-10,13H,2-8H2,1H3
InChIKeyYQGIKFDNHLVCSU-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds3

About 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol

1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol (PubChem CID 130947603) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol
PubChem CID130947603
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)CF)CC1
InChIInChI=1S/C10H20FNO/c1-9-3-2-5-12(6-4-9)8-10(13)7-11/h9-10,13H,2-8H2,1H3
InChIKeyYQGIKFDNHLVCSU-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol (CID 130947603) is 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol is CC1CCCN(CC(O)CF)CC1.
What is the InChIKey of 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol?
The InChIKey is YQGIKFDNHLVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9-3-2-5-12(6-4-9)8-10(13)7-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol?
1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 130947603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).