(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol

C10H19F2NO — CID 176612686

IUPAC(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol
SMILESCC(C)(C)N1CC[C@@H](O)C(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-9(2,3)13-6-4-8(14)10(11,12)5-7-13/h8,14H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyGSCDXIMKDGFBGK-MRVPVSSYSA-N
MW207.26 g/mol
LogP1.88
Rot. Bonds

About (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol

(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol (PubChem CID 176612686) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol.

Molecular Properties

Compound Name(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol
PubChem CID176612686
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol
SMILESCC(C)(C)N1CC[C@@H](O)C(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-9(2,3)13-6-4-8(14)10(11,12)5-7-13/h8,14H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyGSCDXIMKDGFBGK-MRVPVSSYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol?
The IUPAC name of (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol (CID 176612686) is (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol.
What is the SMILES notation for (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol?
The canonical SMILES for (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol is CC(C)(C)N1CC[C@@H](O)C(F)(F)CC1.
What is the InChIKey of (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol?
The InChIKey is GSCDXIMKDGFBGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2,3)13-6-4-8(14)10(11,12)5-7-13/h8,14H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol?
(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol has a molecular weight of 207.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-5,5-difluoroazepan-4-ol is sourced from PubChem (CID 176612686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).