(5,5-difluoroazepan-2-yl)methanol

C7H13F2NO — CID 105432607

IUPAC(5,5-difluoroazepan-2-yl)methanol
SMILESOCC1CCC(F)(F)CCN1
InChIInChI=1S/C7H13F2NO/c8-7(9)2-1-6(5-11)10-4-3-7/h6,10-11H,1-5H2
InChIKeyBYBKSCNBLZXVEL-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.76
Rot. Bonds1

About (5,5-difluoroazepan-2-yl)methanol

(5,5-difluoroazepan-2-yl)methanol (PubChem CID 105432607) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (5,5-difluoroazepan-2-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoroazepan-2-yl)methanol
PubChem CID105432607
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(5,5-difluoroazepan-2-yl)methanol
SMILESOCC1CCC(F)(F)CCN1
InChIInChI=1S/C7H13F2NO/c8-7(9)2-1-6(5-11)10-4-3-7/h6,10-11H,1-5H2
InChIKeyBYBKSCNBLZXVEL-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoroazepan-2-yl)methanol?
The IUPAC name of (5,5-difluoroazepan-2-yl)methanol (CID 105432607) is (5,5-difluoroazepan-2-yl)methanol.
What is the SMILES notation for (5,5-difluoroazepan-2-yl)methanol?
The canonical SMILES for (5,5-difluoroazepan-2-yl)methanol is OCC1CCC(F)(F)CCN1.
What is the InChIKey of (5,5-difluoroazepan-2-yl)methanol?
The InChIKey is BYBKSCNBLZXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)2-1-6(5-11)10-4-3-7/h6,10-11H,1-5H2.
What are the key properties of (5,5-difluoroazepan-2-yl)methanol?
(5,5-difluoroazepan-2-yl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoroazepan-2-yl)methanol is sourced from PubChem (CID 105432607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).