1-(3-fluoropropyl)-4-methylazepan-4-ol

C10H20FNO — CID 107408066

IUPAC1-(3-fluoropropyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCF)CC1
InChIInChI=1S/C10H20FNO/c1-10(13)4-2-7-12(9-5-10)8-3-6-11/h13H,2-9H2,1H3
InChIKeyRAWKJPZWLJWZNA-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds3

About 1-(3-fluoropropyl)-4-methylazepan-4-ol

1-(3-fluoropropyl)-4-methylazepan-4-ol (PubChem CID 107408066) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylazepan-4-ol
PubChem CID107408066
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-(3-fluoropropyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCF)CC1
InChIInChI=1S/C10H20FNO/c1-10(13)4-2-7-12(9-5-10)8-3-6-11/h13H,2-9H2,1H3
InChIKeyRAWKJPZWLJWZNA-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(3-fluoropropyl)-4-methylazepan-4-ol (CID 107408066) is 1-(3-fluoropropyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylazepan-4-ol is CC1(O)CCCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylazepan-4-ol?
The InChIKey is RAWKJPZWLJWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(13)4-2-7-12(9-5-10)8-3-6-11/h13H,2-9H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methylazepan-4-ol?
1-(3-fluoropropyl)-4-methylazepan-4-ol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107408066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).