(1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane

C10H17F2N — CID 121337300

IUPAC(1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CC(F)F
InChIInChI=1S/C10H17F2N/c1-7-4-8-2-3-9(5-7)13(8)6-10(11)12/h7-10H,2-6H2,1H3/t7?,8-,9+
InChIKeyXIFLEDORJMCZGS-CBLAIPOGSA-N
MW189.25 g/mol
LogP2.51
Rot. Bonds2

About (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane

(1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 121337300) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID121337300
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CC(F)F
InChIInChI=1S/C10H17F2N/c1-7-4-8-2-3-9(5-7)13(8)6-10(11)12/h7-10H,2-6H2,1H3/t7?,8-,9+
InChIKeyXIFLEDORJMCZGS-CBLAIPOGSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S)-4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 178101516
4-(Difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 178101838
1-Methyldecahydro-1 h-cyclohepta[b]pyridine
CID 18711517
Methyl tropane
CID 69546563
(1R,5S)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 11127723
3-Cyano-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 15430828
3-Cyano-8-(2,2-difluoroethyl)-8-azabicyclo-[3.2.1]octane
CID 53952369
2-Methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 57013979
3,3-Difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58074467
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane (CID 121337300) is (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane is CC1C[C@H]2CC[C@@H](C1)N2CC(F)F.
What is the InChIKey of (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XIFLEDORJMCZGS-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-4-8-2-3-9(5-7)13(8)6-10(11)12/h7-10H,2-6H2,1H3/t7?,8-,9+.
What are the key properties of (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 189.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121337300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).