4-(2,4-difluorophenyl)-1-ethylazepan-4-ol

C14H19F2NO — CID 65077357

IUPAC4-(2,4-difluorophenyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2NO/c1-2-17-8-3-6-14(18,7-9-17)12-5-4-11(15)10-13(12)16/h4-5,10,18H,2-3,6-9H2,1H3
InChIKeyCEQCYIDABSPTKP-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.66
Rot. Bonds2

About 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol

4-(2,4-difluorophenyl)-1-ethylazepan-4-ol (PubChem CID 65077357) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-ethylazepan-4-ol
PubChem CID65077357
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-(2,4-difluorophenyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2NO/c1-2-17-8-3-6-14(18,7-9-17)12-5-4-11(15)10-13(12)16/h4-5,10,18H,2-3,6-9H2,1H3
InChIKeyCEQCYIDABSPTKP-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol (CID 65077357) is 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol is CCN1CCCC(O)(c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol?
The InChIKey is CEQCYIDABSPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-17-8-3-6-14(18,7-9-17)12-5-4-11(15)10-13(12)16/h4-5,10,18H,2-3,6-9H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol?
4-(2,4-difluorophenyl)-1-ethylazepan-4-ol has a molecular weight of 255.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-ethylazepan-4-ol is sourced from PubChem (CID 65077357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).