(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

C14H17F2NO — CID 68673997

IUPAC(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(COC2C[C@H]3CC[C@@H](C2)N3)cc1F
InChIInChI=1S/C14H17F2NO/c15-13-4-1-9(5-14(13)16)8-18-12-6-10-2-3-11(7-12)17-10/h1,4-5,10-12,17H,2-3,6-8H2/t10-,11+,12?
InChIKeyUBTUVKVCFLDJFJ-FOSCPWQOSA-N
MW253.29 g/mol
LogP2.76
Rot. Bonds3

About (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 68673997) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
PubChem CID68673997
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(COC2C[C@H]3CC[C@@H](C2)N3)cc1F
InChIInChI=1S/C14H17F2NO/c15-13-4-1-9(5-14(13)16)8-18-12-6-10-2-3-11(7-12)17-10/h1,4-5,10-12,17H,2-3,6-8H2/t10-,11+,12?
InChIKeyUBTUVKVCFLDJFJ-FOSCPWQOSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane (CID 68673997) is (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane is Fc1ccc(COC2C[C@H]3CC[C@@H](C2)N3)cc1F.
What is the InChIKey of (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is UBTUVKVCFLDJFJ-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-13-4-1-9(5-14(13)16)8-18-12-6-10-2-3-11(7-12)17-10/h1,4-5,10-12,17H,2-3,6-8H2/t10-,11+,12?.
What are the key properties of (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 253.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68673997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).