4-(3,4-difluorophenyl)-1-propylazepan-4-ol

C15H21F2NO — CID 65077615

IUPAC4-(3,4-difluorophenyl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-2-8-18-9-3-6-15(19,7-10-18)12-4-5-13(16)14(17)11-12/h4-5,11,19H,2-3,6-10H2,1H3
InChIKeyJSEPONQHENZZHG-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.05
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-propylazepan-4-ol

4-(3,4-difluorophenyl)-1-propylazepan-4-ol (PubChem CID 65077615) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-propylazepan-4-ol
PubChem CID65077615
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-(3,4-difluorophenyl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-2-8-18-9-3-6-15(19,7-10-18)12-4-5-13(16)14(17)11-12/h4-5,11,19H,2-3,6-10H2,1H3
InChIKeyJSEPONQHENZZHG-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-propylazepan-4-ol?
The IUPAC name of 4-(3,4-difluorophenyl)-1-propylazepan-4-ol (CID 65077615) is 4-(3,4-difluorophenyl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-propylazepan-4-ol is CCCN1CCCC(O)(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-propylazepan-4-ol?
The InChIKey is JSEPONQHENZZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-8-18-9-3-6-15(19,7-10-18)12-4-5-13(16)14(17)11-12/h4-5,11,19H,2-3,6-10H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-propylazepan-4-ol?
4-(3,4-difluorophenyl)-1-propylazepan-4-ol has a molecular weight of 269.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-propylazepan-4-ol is sourced from PubChem (CID 65077615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).