4-(difluoromethyl)-1-ethylazepan-4-ol

C9H17F2NO — CID 80604272

IUPAC4-(difluoromethyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(C(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-2-12-6-3-4-9(13,5-7-12)8(10)11/h8,13H,2-7H2,1H3
InChIKeyWTZVAJHKXBOENS-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds2

About 4-(difluoromethyl)-1-ethylazepan-4-ol

4-(difluoromethyl)-1-ethylazepan-4-ol (PubChem CID 80604272) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethylazepan-4-ol
PubChem CID80604272
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(C(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-2-12-6-3-4-9(13,5-7-12)8(10)11/h8,13H,2-7H2,1H3
InChIKeyWTZVAJHKXBOENS-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(difluoromethyl)-1-ethylazepan-4-ol (CID 80604272) is 4-(difluoromethyl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(difluoromethyl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(difluoromethyl)-1-ethylazepan-4-ol is CCN1CCCC(O)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-ethylazepan-4-ol?
The InChIKey is WTZVAJHKXBOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-12-6-3-4-9(13,5-7-12)8(10)11/h8,13H,2-7H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-ethylazepan-4-ol?
4-(difluoromethyl)-1-ethylazepan-4-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethylazepan-4-ol is sourced from PubChem (CID 80604272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).