4-(difluoromethyl)-1-methylazepan-4-ol

C8H15F2NO — CID 80606043

IUPAC4-(difluoromethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(C(F)F)CC1
InChIInChI=1S/C8H15F2NO/c1-11-5-2-3-8(12,4-6-11)7(9)10/h7,12H,2-6H2,1H3
InChIKeyUWDYNQAGJBCSQI-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds1

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

4-(difluoromethyl)-1-methylazepan-4-ol (PubChem CID 80606043) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methylazepan-4-ol
PubChem CID80606043
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-(difluoromethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(C(F)F)CC1
InChIInChI=1S/C8H15F2NO/c1-11-5-2-3-8(12,4-6-11)7(9)10/h7,12H,2-6H2,1H3
InChIKeyUWDYNQAGJBCSQI-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methylazepan-4-ol?
The IUPAC name of 4-(difluoromethyl)-1-methylazepan-4-ol (CID 80606043) is 4-(difluoromethyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(difluoromethyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(difluoromethyl)-1-methylazepan-4-ol is CN1CCCC(O)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-methylazepan-4-ol?
The InChIKey is UWDYNQAGJBCSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-5-2-3-8(12,4-6-11)7(9)10/h7,12H,2-6H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-methylazepan-4-ol?
4-(difluoromethyl)-1-methylazepan-4-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methylazepan-4-ol is sourced from PubChem (CID 80606043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).